⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8333331 | 0.78 | MAPK1 (0.32) | — | |
| SCHEMBL8335369 | 0.78 | MAPK1 (0.33) | — | |
| SCHEMBL8333397 | 0.75 | KDR (0.32) | — | |
| SCHEMBL8308802 | 0.75 | — | — | |
| SCHEMBL8310259 | 0.68 | — | — | |
| SCHEMBL8688493 | 0.65 | MAPK1 (0.40) | — | |
| SCHEMBL9149540 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL8334573 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL8334293 | 0.62 | MAPK1 (0.34) | — | |
| SCHEMBL6680644 | 0.60 | LMNA (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5888940-A | DESICCATING PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-30 | — | — | US | disclosed |
| EP-0862569-A1 | SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997008171-A1 | SUBSTITUTED BENZOTHIAZOLS WITH HERBICIDAL ACTION | BASF AKTIENGESELLSCHAFT (DE) | 1997-03-06 | — | — | WO | disclosed |