⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8835182 | 0.96 | — | — | |
| SCHEMBL8835621 | 0.87 | ESR2 (0.32) | — | |
| SCHEMBL17772904 | 0.86 | ESR2 (0.30) | — | |
| SCHEMBL8447820 | 0.86 | ESR2 (0.30) | — | |
| SCHEMBL8835125 | 0.86 | — | — | |
| SCHEMBL8454261 | 0.84 | — | — | |
| SCHEMBL8454266 | 0.84 | — | — | |
| SCHEMBL8451027 | 0.84 | — | — | |
| SCHEMBL8835131 | 0.84 | ESR2 (0.34) | — | |
| SCHEMBL8835490 | 0.83 | KDM1A (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5662830-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| US-5609791-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-03-11 | — | — | US | disclosed |
| EP-0563982-B1 | Polycyclic diene derivatives | CHISSO CORP (JP) | 1996-07-17 | — | — | EP | disclosed |
| US-5449810-A | Diene derivative | CHISSO CORPORATION (JP) | 1995-09-12 | — | — | US | disclosed |
| EP-0563982-A2 | Polycyclic diene derivatives | Chisso Corporation (JP) | 1993-10-06 | — | — | EP | disclosed |