⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4199252 | 0.83 | DNM1 (0.42) | — | |
| SCHEMBL9208998 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL2306758 | 0.73 | — | — | |
| SCHEMBL9204443 | 0.72 | — | — | |
| SCHEMBL4167960 | 0.70 | LMNA (0.31) | — | |
| SCHEMBL4203223 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL4438505 | 0.67 | DNM1 (0.36) | — | |
| SCHEMBL4443233 | 0.67 | — | — | |
| SCHEMBL8133035 | 0.66 | — | — | |
| SCHEMBL15457712 | 0.65 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1181295-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-27 | — | — | EP | disclosed |
| EP-1163240-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-19 | — | — | EP | disclosed |
| EP-1135385-A1 | THIOCHROMANOYLPYRAZOLONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-26 | — | — | EP | disclosed |
| EP-1084116-A1 | CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-21 | — | — | EP | disclosed |
| EP-1080089-A1 | PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999057111-A9 | CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES | BASF AG (DE) | 2001-03-01 | — | — | WO | disclosed |
| WO-2000073311-A2 | TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | disclosed |
| WO-2000055158-A1 | TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-21 | — | — | WO | disclosed |
| WO-2000034270-A1 | THIOCHROMANOYLPYRAZOLONE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | disclosed |
| WO-1999059991-A1 | PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-25 | — | — | WO | disclosed |
| WO-1999057111-A1 | CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-11 | — | — | WO | disclosed |