⚠ 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 SCHEMBL461643 | 0.63 | — | — | |
| Butadiene SCHEMBL10457929 | 0.63 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11480793 | 0.63 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.63 | — | — | |
| Butadiene SCHEMBL11854764 | 0.63 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL11300884 | 0.62 | — | — | |
| Butadiene SCHEMBL23531180 | 0.58 | — | — | |
| Butadiene SCHEMBL3319970 | 0.58 | — | — | |
| Butadiene SCHEMBL5842413 | 0.58 | — | — | |
| Butadiene SCHEMBL9155634 | 0.58 | 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 220 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1678115-B1 | PROCESS FOR PREPARING FUNCTIONAL GROUP-CONTAINING OLEFINIC COMPOUNDS | 3M INNOVATIVE PROPERTIES CO (US) | 2011-11-16 | — | — | EP | claimed |
| US-20110264206-A1 | Prosthetic Valve with Sealing Members and Methods of Use Thereof | MEDTRONIC, INC. (US) | 2011-10-27 | — | — | US | claimed |
| EP-1242437-B1 | NOVEL STROMELYSIN INHIBITORS | SANOFI AVENTIS DEUTSCHLAND (DE) | 2010-11-03 | — | — | EP | claimed |
| EP-1026157-B1 | Method for the synthesis of huperzine A and analogs thereof and compounds useful therein | MAYO FOUNDATION (US) | 2006-06-21 | — | — | EP | claimed |
| US-6337411-B2 | Stromelysin inhibitors | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-01-08 | — | — | US | claimed |
| US-20010025029-A1 | Novel stromelysin inhibitors | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2001-09-27 | — | — | US | claimed |
| EP-0136721-A2 | Carboxyalkenamidocephalosporins | SHIONOGI & CO., LTD. (JP) | 1985-04-10 | — | — | EP | claimed |
| EP-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |
| US-12031130-B2 | Composition for modifying target gene | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-07-09 | — | — | US | disclosed |
| US-12024505-B2 | Heterocyclic compounds useful as modulators of acetylcholine receptors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-07-02 | — | — | US | disclosed |
| US-12012419-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-06-18 | — | — | US | disclosed |
| US-11993570-B2 | Cationic lipids | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-05-28 | — | — | US | disclosed |
| EP-4034257-B1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2024-05-22 | — | — | EP | disclosed |
| US-4054569-A | CNS DEPRESSANTS, ANTICONVULSIVES, ANTIINFLAMMATORY | AYERST MCKENNA & HARRISON LTD. (CA) | 1977-10-18 | — | — | US | disclosed |
| US-4043812-A | ADDITION POLYMERS, FILMS, PHOTOCONDUCTIVITY | XEROX CORPORATION (US) | 1977-08-23 | — | — | US | disclosed |
| US-4043812-A | ADDITION POLYMERS, FILMS, PHOTOCONDUCTIVITY | XEROX CORPORATION (US) | 1977-08-23 | — | — | US | disclosed |
| US-3989691-A | FROM A QUINOLINE | PRINCETON UNIVERSITY (US) | 1976-11-02 | — | — | US | disclosed |
| US-3985751-A | CNS DEPRESSANTS, ANTICONVULSANT AND ANTIINFLAMMATORY AGENTS | AYERST MCKENNA AND HARRISON LTD. (CA) | 1976-10-12 | — | — | US | disclosed |
| US-3978029-A | POLYCARBAZOLES | XEROX CORPORATION (US) | 1976-08-31 | — | — | US | disclosed |
| US-3919325-A | Process for preparing allylidenphosphoranes | STUDIENGESELLSCHAFT KOHLE MBH | 1975-11-11 | — | — | US | disclosed |