⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4891883 | 0.64 | OXTR (0.33) | — | |
| SCHEMBL17246777 | 0.57 | — | — | |
| SCHEMBL31236844 | 0.57 | IDO1 (0.46) | — | |
| SCHEMBL31236843 | 0.57 | IDO1 (0.46) | — | |
| SCHEMBL20153040 | 0.56 | OPRM1 (0.41) | — | |
| SCHEMBL10588028 | 0.55 | — | — | |
| SCHEMBL24214455 | 0.55 | USP2 (0.38) | — | |
| SCHEMBL8267475 | 0.55 | MEN1 (0.50) | — | |
| SCHEMBL8284519 | 0.55 | MEN1 (0.50) | — | |
| SCHEMBL1690518 | 0.55 | PNMT (0.58) | — |
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-4056632-A | ANTIDEPRESSANT | BURROUGHS WELLCOME CO. (US) | 1977-11-01 | — | — | US | disclosed |