Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Butadiene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butadiene SCHEMBL28569748 | 1.00 | — | — | |
| Butadiene SCHEMBL11854764 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.91 | — | — | |
| Butadiene SCHEMBL461643 | 0.91 | — | — | |
| Butadiene SCHEMBL11480793 | 0.91 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL23406461 | 0.83 | — | — | |
| Butadiene SCHEMBL3122214 | 0.83 | — | — | |
| Butadiene SCHEMBL8514023 | 0.83 | — | — | |
| Butadiene SCHEMBL9155634 | 0.83 | TRPA1 (0.40) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023116907-A1 | POLYMER COMPOSITION, POLYMER MASTERBATCH COMPOSITION AND SHEET MATERIALS COMPRISING OR PRODUCED FROM SAID COMPOSITIONS | LANXESS CHEMICAL (CHINA) CO., LTD. (CN) | 2023-06-29 | — | — | WO | claimed |
| WO-2023116908-A1 | POLYMER COMPOSITION, POLYMER MASTERBATCH COMPOSITION AND SHEET MATERIALS COMPRISING OR PRODUCED FROM SAID COMPOSITIONS | LANXESS CHEMICAL (CHINA) CO., LTD. (CN) | 2023-06-29 | — | — | WO | claimed |
| CN-114031700-B | Star-shaped brominated butadiene vinyl aromatic polymer for flame retardant and preparation method thereof | 沈阳化工研究院有限公司 | 2023-09-12 | — | — | CN | disclosed |
| WO-2023116907-A1 | POLYMER COMPOSITION, POLYMER MASTERBATCH COMPOSITION AND SHEET MATERIALS COMPRISING OR PRODUCED FROM SAID COMPOSITIONS | LANXESS CHEMICAL (CHINA) CO., LTD. (CN) | 2023-06-29 | — | — | WO | disclosed |
| WO-2023116908-A1 | POLYMER COMPOSITION, POLYMER MASTERBATCH COMPOSITION AND SHEET MATERIALS COMPRISING OR PRODUCED FROM SAID COMPOSITIONS | LANXESS CHEMICAL (CHINA) CO., LTD. (CN) | 2023-06-29 | — | — | WO | disclosed |
| US-20180223181-A1 | SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT | DAINIPPON INK & CHEMICALS (JP) | 2018-08-09 | — | — | US | disclosed |
| CN-104177516-B | A kind of brominated aliphatic alkene/vinyl aromatic copolymer fire retardant and preparation method thereof | QINGDAO FUNDCHEM CO., LTD. (CN) | 2017-01-04 | — | — | CN | disclosed |
| CN-104177516-A | Bromized aliphatic olefin/vinyl aromatic copolymer flame retardant and preparation method thereof | QINGDAO FUNDCHEM CO LTD | 2014-12-03 | — | — | CN | disclosed |
| CN-102378769-B | Process for brominating unsaturated organic compounds and removing mono-quaternary ammonium or quaternary phosphonium chlorides | DOW GLOBAL TECHNOLOGIES INC | 2013-06-12 | — | — | CN | disclosed |
| CN-101959901-B | Process for brominating butadiene copolymers by the addition of water or certain solvents | DOW GLOBAL TECHNOLOGIES LLC | 2013-05-08 | — | — | CN | disclosed |
| CN-101981061-B | Process for brominating butadiene/vinyl aromatic copolymers | DOW GLOBAL TECHNOLOGIES INC | 2013-02-06 | — | — | CN | disclosed |
| US-7153805-B2 | Group III-B metal catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-12-26 | — | — | US | disclosed |
| US-7022783-B2 | synthesis of non tapered, random isoprene-butadiene rubbers with a catalyst made of a Group III-B organometalic compound and an organoaluminum compound and a halogen compound; tire sidewalls with improved cut growth resistance without sacrificing rolling resistance | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 2006-04-04 | — | — | US | disclosed |
| US-20060020090-A1 | Group III-B metal catalyst system | THE GOODYEAR TIRE & RUBBER COMPANY | 2006-01-26 | — | — | US | disclosed |
| US-20040186252-A1 | Group III-B metal catalyst system | GOODYEAR TIRE & RUBBER COMPANY, THE | 2004-09-23 | — | — | US | disclosed |
| US-20030125487-A1 | Copolymerizing isoprene and 1,3- butadiene in a catalyst system of a labile halogen atom compound and a reaction product of an organoaluminum, an alcohol, a silanol, 1,3-butadiene and an orgnaometallic compound | THE GOODYEAR TIRE & RUBBER COMPANY | 2003-07-03 | — | — | US | disclosed |
| EP-0629640-B1 | Process for the synthesis of isoprene-butadiene rubber | GOODYEAR TIRE & RUBBER (US) | 1997-01-08 | — | — | EP | disclosed |
| US-5502126-A | Process for the synthesis of isoprene butadiene rubber | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1996-03-26 | — | — | US | disclosed |
| US-5405815-A | Process for preparing a catalyst system useful in the synthesis of isoprene-butadiene rubber | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1995-04-11 | — | — | US | disclosed |
| EP-0629640-A1 | Process for the synthesis of isoprene-butadiene rubber | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1994-12-21 | — | — | EP | disclosed |