⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10467971 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL29961202 | 0.78 | MAOA (0.41) | — | |
| SCHEMBL25381760 | 0.76 | PDPK1 (0.40) | — | |
| SCHEMBL10468691 | 0.76 | — | — | |
| SCHEMBL10468579 | 0.75 | USP30 (0.41) | — | |
| SCHEMBL10467570 | 0.75 | SRD5A1 (0.51) | — | |
| SCHEMBL10468680 | 0.74 | — | — | |
| SCHEMBL10468067 | 0.72 | ADRA2A (0.51) | — | |
| SCHEMBL9312201 | 0.71 | — | — | |
| SCHEMBL29960274 | 0.71 | MAOA (0.42) | — |
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-4957914-A | ANTIDEPRESSANTS, ANXIOLYTICS, HYPOTENSIVE AGENTS | SYNTEX (U.S.A.) INC. (US) | 1990-09-18 | — | — | US | disclosed |