⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11429321 | 0.70 | — | — | |
| SCHEMBL20928053 | 0.67 | — | — | |
| SCHEMBL23792467 | 0.67 | — | — | |
| SCHEMBL20919719 | 0.66 | OPRM1 (0.45) | — | |
| SCHEMBL3714633 | 0.63 | — | — | |
| SCHEMBL25484161 | 0.62 | — | — | |
| SCHEMBL28418153 | 0.58 | — | — | |
| SCHEMBL1593968 | 0.58 | — | — | |
| SCHEMBL25394341 | 0.57 | — | — | |
| SCHEMBL11611813 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4124765-A | ANTITUMOR | ONO PHARMACEUTICAL CO., LTD. (JP) | 1978-11-07 | — | — | US | disclosed |