⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10656233 | 0.79 | CTSK (0.34) | — | |
| SCHEMBL4127198 | 0.72 | RNPEP (0.33) | — | |
| SCHEMBL10904557 | 0.70 | CACNA2D1 (0.31) | — | |
| SCHEMBL15611205 | 0.64 | — | — | |
| SCHEMBL15611204 | 0.64 | — | — | |
| SCHEMBL5064779 | 0.62 | SLC7A5 (0.38) | — | |
| SCHEMBL9736047 | 0.62 | SLC7A5 (0.38) | — | |
| SCHEMBL5067944 | 0.62 | SLC7A5 (0.38) | — | |
| SCHEMBL14910117 | 0.62 | RNPEP (0.33) | — | |
| SCHEMBL14908569 | 0.61 | SLC7A5 (0.41) | — |
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-4596819-A | Antidepressive agents | WARNER-LAMBERT COMPANY (US) | 1986-06-24 | — | — | US | disclosed |