⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8304936 | 0.77 | MEN1 (0.32) | — | |
| SCHEMBL12282936 | 0.65 | KMT2A (0.47) | — | |
| SCHEMBL8616714 | 0.64 | MAPT (0.34) | — | |
| SCHEMBL8616712 | 0.64 | MAPT (0.34) | — | |
| SCHEMBL6055976 | 0.62 | CYP19A1 (0.39) | — | |
| SCHEMBL8307108 | 0.59 | VHL (0.40) | — | |
| SCHEMBL9292546 | 0.57 | NQO2 (0.42) | — | |
| SCHEMBL29380074 | 0.56 | ALDH1A1 (0.42) | — | |
| SCHEMBL1590024 | 0.56 | ALDH1A1 (0.42) | — | |
| SCHEMBL6732612 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0629623-B1 | PYRAZOLE DERIVATIVE | IDEMITSU KOSAN CO (JP) | 1999-05-19 | — | — | EP | disclosed |
| US-5587484-A | HALOGENATION; OXIDATION; SULFONATION; HERBICIDES | IDEMITSU KOSAN CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |
| US-5468722-A | Herbicides for corn, wheat, barley | IDEMITSU KOSAN CO., LTD. (JP) | 1995-11-21 | — | — | US | disclosed |
| EP-0629623-A1 | PYRAZOLE DERIVATIVE | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1994-12-21 | — | — | EP | disclosed |