⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2265241 | 0.69 | — | — | |
| SCHEMBL19100784 | 0.67 | — | — | |
| SCHEMBL6051198 | 0.54 | — | — | |
| SCHEMBL2246777 | 0.52 | — | — | |
| SCHEMBL12593799 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL30953438 | 0.49 | ALDH1A1 (0.33) | — | |
| SCHEMBL6562332 | 0.43 | — | — | |
| Dichlorotetrafluoroethane SCHEMBL554874 | 0.39 | ALDH1A1 (0.31) | — | |
| SCHEMBL10781312 | 0.39 | — | — | |
| SCHEMBL9817300 | 0.39 | — | — |
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-6191130-B1 | HYPOTENSIVE AGENTS; THERAPY FOR SEXUAL DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | PIERRE FABRE MEDICAMENT (FR) | 2001-02-20 | — | — | US | disclosed |