⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10548437 | 0.88 | SIGMAR1 (0.32) | — | |
| SCHEMBL12483255 | 0.84 | — | — | |
| SCHEMBL11065524 | 0.81 | CYP1A2 (0.31) | — | |
| SCHEMBL19890971 | 0.78 | SIGMAR1 (0.48) | — | |
| SCHEMBL10884196 | 0.78 | CYP1A2 (0.41) | — | |
| SCHEMBL22722355 | 0.77 | EPHX1 (0.41) | — | |
| SCHEMBL5468899 | 0.76 | — | — | |
| SCHEMBL5468895 | 0.76 | — | — | |
| SCHEMBL10776291 | 0.76 | — | — | |
| SCHEMBL200172 | 0.74 | — | — |
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-4435404-A | ANTICOAGULANTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1984-03-06 | — | — | US | disclosed |