⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL412997 | 0.87 | CHRNA7 (0.36) | — | |
| SCHEMBL412996 | 0.87 | CHRNA7 (0.36) | — | |
| SCHEMBL15451780 | 0.87 | CHRNA7 (0.41) | — | |
| SCHEMBL12205442 | 0.87 | CHRNA7 (0.36) | — | |
| SCHEMBL3965421 | 0.87 | CHRNA7 (0.36) | — | |
| SCHEMBL4649804 | 0.87 | CHRNA7 (0.36) | — | |
| SCHEMBL8210960 | 0.83 | — | — | |
| SCHEMBL18071801 | 0.83 | — | — | |
| SCHEMBL844591 | 0.83 | — | — | |
| SCHEMBL31522600 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140030191-A1 | 1,4-DISUBSTITUTED 1,2,3-TRIAZOLES, METHODS FOR PREPARING SAME, AND DIAGNOSTIC AND THERAPEUTIC USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2014-01-30 | — | — | US | disclosed |
| US-4320137-A | Derivatives of perhydro-aza-heterocycles | CIBA-GEIGY CORPORATION (US) | 1982-03-16 | — | — | US | disclosed |
| US-4246269-A | Antidepressant piperidinones | CIBA-GEIGY CORPORATION (US) | 1981-01-20 | — | — | US | disclosed |
| US-4160837-A | ANTIDEPRESSANTS | CIBA-GEIGY CORPORATION (US) | 1979-07-10 | — | — | US | disclosed |