⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16510080 | 0.83 | — | — | |
| SCHEMBL12251584 | 0.77 | — | — | |
| SCHEMBL13844382 | 0.75 | — | — | |
| SCHEMBL13104781 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL13093073 | 0.72 | MAPT (0.38) | — | |
| SCHEMBL9045028 | 0.68 | — | — | |
| SCHEMBL21719610 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL13104703 | 0.67 | MAPT (0.38) | — | |
| SCHEMBL11339077 | 0.65 | MAPT (0.37) | — | |
| SCHEMBL4786220 | 0.65 | MAPT (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8247401-B2 | P2X3 receptor antagonists for treatment of pain | MERCK SHARP & DOHME CORP. (US) | 2012-08-21 | — | — | US | disclosed |
| US-20100266714-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2010-10-21 | — | — | US | disclosed |
| US-20100266714-A1 | P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME LLC | 2010-10-21 | — | — | US | disclosed |