⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24487644 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL4895084 | 0.70 | — | — | |
| SCHEMBL11227304 | 0.67 | — | — | |
| SCHEMBL6119032 | 0.63 | — | — | |
| SCHEMBL9195958 | 0.61 | — | — | |
| SCHEMBL26587 | 0.60 | — | — | |
| SCHEMBL10710474 | 0.60 | — | — | |
| SCHEMBL1033227 | 0.59 | MEN1 (0.52) | — | |
| Methoxymethane SCHEMBL7946245 | 0.58 | — | — | |
| SCHEMBL28271742 | 0.58 | — | — |
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-20080221171-A1 | Phenylaminopyridines | BASILEA PHARMACEUTICA AG (CH) | 2008-09-11 | — | — | US | disclosed |