⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9767894 | 1.00 | CES2 (0.54) | — | |
| SCHEMBL26982673 | 1.00 | CES2 (0.54) | — | |
| SCHEMBL7042557 | 0.97 | — | — | |
| SCHEMBL6722226 | 0.88 | — | — | |
| Acetic Acid SCHEMBL6887007 | 0.85 | CES2 (0.57) | — | |
| SCHEMBL2058544 | 0.85 | TDP1 (0.35) | — | |
| SCHEMBL2058555 | 0.85 | TDP1 (0.35) | — | |
| SCHEMBL2058567 | 0.85 | TDP1 (0.35) | — | |
| SCHEMBL2058045 | 0.85 | TDP1 (0.35) | — | |
| Ethylene Glycol SCHEMBL11211643 | 0.83 | LMNA (0.55) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| US-5691319-A | ANTICARCINOGENIC AGENTS | SANKYO COMPANY, LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| EP-0536936-B1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | SANKYO CO (JP) | 1996-08-14 | — | — | EP | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | 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 |
| EP-0536936-A1 | Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use | Sankyo Company Limited (JP) | 1993-04-14 | — | — | EP | disclosed |
| US-4209410-A | 2- OR 3-DODECYLTHIO-1-PROPANOL ADDITIVES FOR IMPROVED ANTIWEAR PROPERTIES | PHILLIPS PETROLEUM COMPANY (US) | 1980-06-24 | — | — | US | disclosed |