⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8304548 | 0.84 | SPR (0.32) | — | |
| SCHEMBL8941170 | 0.78 | — | — | |
| SCHEMBL8303413 | 0.77 | HTT (0.31) | — | |
| SCHEMBL8941172 | 0.76 | RAB9A (0.32) | — | |
| SCHEMBL8941152 | 0.74 | — | — | |
| SCHEMBL10751687 | 0.73 | KMT2A (0.36) | — | |
| SCHEMBL8901538 | 0.72 | AKR1C2 (0.31) | — | |
| SCHEMBL10808922 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL10801002 | 0.72 | MAPT (0.34) | — | |
| SCHEMBL8941036 | 0.71 | RAB9A (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952842-A2 | A METHOD OF TREATING CANCER | Merck & Co., Inc. (US) | 1999-11-03 | — | — | EP | disclosed |
| EP-0629623-B1 | PYRAZOLE DERIVATIVE | IDEMITSU KOSAN CO (JP) | 1999-05-19 | — | — | EP | disclosed |
| WO-1997038664-A2 | A METHOD OF TREATING CANCER | MERCK & CO., INC. (US) | 1997-10-23 | — | — | WO | 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 |