⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26836432 | 1.00 | — | — | |
| SCHEMBL12088005 | 0.79 | — | — | |
| SCHEMBL22871202 | 0.77 | — | — | |
| SCHEMBL16501305 | 0.77 | — | — | |
| SCHEMBL16501304 | 0.77 | — | — | |
| SCHEMBL24050473 | 0.74 | — | — | |
| SCHEMBL9759570 | 0.74 | — | — | |
| SCHEMBL20348833 | 0.74 | — | — | |
| SCHEMBL2673476 | 0.73 | — | — | |
| SCHEMBL24874217 | 0.73 | — | — |
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-8569512-B2 | P2X3 receptor antagonists for treatment of pain | MERCK SHARP & DOHME CORP. (US) | 2013-10-29 | — | — | US | disclosed |
| US-20120015052-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2012-01-19 | — | — | US | disclosed |