⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19296381 | 0.75 | — | — | |
| SCHEMBL800923 | 0.75 | — | — | |
| SCHEMBL27602206 | 0.75 | — | — | |
| SCHEMBL9792803 | 0.73 | — | — | |
| SCHEMBL1500268 | 0.73 | — | — | |
| SCHEMBL10970239 | 0.73 | — | — | |
| SCHEMBL9220757 | 0.72 | — | — | |
| SCHEMBL10656536 | 0.71 | — | — | |
| SCHEMBL11127655 | 0.71 | CES2 (0.41) | — | |
| SCHEMBL766667 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101142212-A | 2-phenoxy-n-(1,3,4-thiadizol-2-yl)pyridin-3-amine derivatives and related compounds as p2y1 receptor inhibitors for the treatment of thromboembolic disorders | BRISTOL MYERS SQUIBB CO (US) | 2008-03-12 | — | — | CN | disclosed |