⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6868808 | 0.83 | GABRA1 (0.33) | — | |
| SCHEMBL7158739 | 0.79 | SRC (0.31) | — | |
| SCHEMBL2310493 | 0.77 | — | — | |
| SCHEMBL28150 | 0.75 | KDM4E (0.30) | — | |
| SCHEMBL483618 | 0.74 | HSP90AA1 (0.31) | — | |
| SCHEMBL4027300 | 0.71 | NPC1 (0.30) | — | |
| SCHEMBL1042696 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL1041269 | 0.71 | — | — | |
| SCHEMBL166481 | 0.71 | PNMT (0.36) | — | |
| SCHEMBL6860681 | 0.71 | CYP1A2 (0.38) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0475086-A1 | Photo-sensitive polymer composition | HITACHI, LTD. (JP) | 1992-03-18 | — | — | EP | disclosed |