⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5575688 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL28443837 | 0.75 | — | — | |
| SCHEMBL1405404 | 0.74 | — | — | |
| SCHEMBL3594311 | 0.73 | — | — | |
| SCHEMBL26969254 | 0.71 | — | — | |
| SCHEMBL8865924 | 0.71 | — | — | |
| SCHEMBL4761631 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL10664271 | 0.70 | — | — | |
| SCHEMBL1042812 | 0.69 | — | — | |
| SCHEMBL40708 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7838681-B2 | Synthesis of substituted heterocyclic compounds | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) | 2010-11-23 | — | — | US | disclosed |
| EP-1620440-B1 | SYNTHESIS OF SUBSTITUTED HETEROCYCLIC COMPOUNDS | CENTRE NAT RECH SCIENT (FR) | 2009-03-11 | — | — | EP | disclosed |
| US-20070106077-A1 | Synthesis of substituted heterocyclic compounds | UNIVERSITE DE PARIS SUD (FR) | 2007-05-10 | — | — | US | disclosed |