⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28629981 | 0.66 | MAOB (0.54) | — | |
| SCHEMBL28625222 | 0.66 | MAOB (0.54) | — | |
| SCHEMBL13036715 | 0.65 | KCNA6 (0.61) | — | |
| SCHEMBL3591759 | 0.62 | — | — | |
| SCHEMBL3586489 | 0.62 | KCNA6 (0.34) | — | |
| SCHEMBL3586492 | 0.62 | KCNA6 (0.34) | — | |
| SCHEMBL27252612 | 0.61 | — | — | |
| SCHEMBL11542628 | 0.58 | — | — | |
| SCHEMBL4071211 | 0.58 | — | — | |
| SCHEMBL12393895 | 0.57 | PTGS1 (0.40) | — |
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 2 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 |
| US-20070106077-A1 | Synthesis of substituted heterocyclic compounds | UNIVERSITE DE PARIS SUD (FR) | 2007-05-10 | — | — | US | disclosed |