⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2286902 | 0.68 | — | — | |
| SCHEMBL3611345 | 0.68 | — | — | |
| SCHEMBL975333 | 0.68 | — | — | |
| SCHEMBL15063931 | 0.64 | — | — | |
| SCHEMBL6449779 | 0.62 | CHRNB2 (0.33) | — | |
| SCHEMBL17529623 | 0.61 | EPHX2 (0.35) | — | |
| SCHEMBL1710796 | 0.61 | HMGCR (0.37) | — | |
| SCHEMBL27658120 | 0.60 | — | — | |
| SCHEMBL751835 | 0.60 | — | — | |
| SCHEMBL15063605 | 0.60 | L3MBTL1 (0.37) | — |
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-4431808-A | ANTIDEPRESSANTS; TRANQUILIZERS; NEUROLEPTIC AGENTS | SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) | 1984-02-14 | — | — | US | disclosed |