⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12331443 | 1.00 | — | — | |
| SCHEMBL18137232 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7823405 | 0.97 | — | — | |
| SCHEMBL433263 | 0.92 | — | — | |
| SCHEMBL433262 | 0.92 | — | — | |
| SCHEMBL16738315 | 0.92 | — | — | |
| SCHEMBL11610976 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL11610970 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL11610971 | 0.90 | TSHR (0.43) | — | |
| SCHEMBL13482062 | 0.82 | — | — |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10155777-B2 | Trans-cycloheptenes and hetero-trans-cycloheptenes for bioorthogonal coupling | UNIVERSITY OF DELAWARE (US) | 2018-12-18 | — | — | US | disclosed |
| US-20180072761-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2018-03-15 | — | — | US | disclosed |
| US-20180072761-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2018-03-15 | — | — | US | disclosed |
| CN-103987707-B | The base heterocyclic radical benzamide compound of pyrazoles 4 and application method | 霍夫曼-拉罗奇有限公司 | 2017-11-07 | — | — | CN | disclosed |
| WO-2016164565-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2016164565-A1 | TRANS-CYCLOHEPTENES AND HETERO-TRANS-CYCLOHEPTENES FOR BIOORTHOGONAL COUPLING | UNIVERSITY OF DELAWARE (US) | 2016-10-13 | — | — | WO | disclosed |
| US-8039500-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-10-18 | — | — | US | disclosed |
| US-7723423-B2 | Gas-barrier resin composition | CRYOVAC, INC. (US) | 2010-05-25 | — | — | US | disclosed |
| US-20100048658-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-02-25 | — | — | US | disclosed |
| EP-2125753-A1 | FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY | Takeda Pharmaceutical Company Limited (JP) | 2009-12-02 | — | — | EP | disclosed |
| EP-0591699-A1 | N-hydroxy-N-phenylcarboxamides, processes for their production and agents containing them for the controlling of harmful fungi | BASF Aktiengesellschaft (DE) | 1994-04-13 | — | — | EP | disclosed |
| EP-0589313-A1 | Cyclohex(en)ylcarboxamides, process for their preparation and anti-fungal agents containing them | BASF Aktiengesellschaft (DE) | 1994-03-30 | — | — | EP | disclosed |
| EP-0589301-A1 | Carboxynilides derivatives, process for their preparation and fungicidal compositions containing them | BASF Aktiengesellschaft (DE) | 1994-03-30 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |
| US-5252540-A | Herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-10-12 | — | — | US | disclosed |
| WO-1993016985-A1 | CYANO-OXIME ETHERS, PROCESS FOR PRODUCING THEM, AGENTS CONTAINING THEM AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-02 | — | — | WO | disclosed |
| EP-0482349-A2 | Sulfonamides | BASF Aktiengesellschaft (DE) | 1992-04-29 | — | — | EP | disclosed |
| US-4293717-A | Process for preparing aldehydes and diols | BAYER AKTIENGESELLSCHAFT (DE) | 1981-10-06 | — | — | US | disclosed |
| US-3972944-A | BORON OXIDE, BORIC ACID OR BORATE AND VANADIUM OR MOLYBDENUM CONTAINING CATALYST | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-03 | — | — | US | disclosed |