⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10216233 | 0.81 | HPGD (0.38) | — | |
| SCHEMBL22308307 | 0.77 | HPGD (0.35) | — | |
| SCHEMBL20333664 | 0.62 | CHRM5 (0.33) | — | |
| SCHEMBL6095288 | 0.62 | CYP3A4 (0.52) | — | |
| SCHEMBL15088459 | 0.62 | ACHE (0.30) | — | |
| SCHEMBL959780 | 0.62 | ACHE (0.30) | — | |
| SCHEMBL12210424 | 0.62 | CHRNB2 (0.31) | — | |
| SCHEMBL10269820 | 0.62 | MEN1 (0.37) | — | |
| SCHEMBL21451248 | 0.60 | ADRA2A (0.39) | — | |
| SCHEMBL9846265 | 0.59 | ALDH1A1 (0.32) | — |
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-10870630-B2 | Substituted bicyclic heteroaryl allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. | 2020-12-22 | — | — | US | disclosed |
| US-20190308945-A1 | SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2019-10-10 | — | — | US | disclosed |