⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4464831 | 0.68 | — | — | |
| SCHEMBL968554 | 0.67 | KDM4E (0.57) | — | |
| SCHEMBL17028970 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL5056726 | 0.64 | — | — | |
| SCHEMBL7937507 | 0.64 | — | — | |
| SCHEMBL2428375 | 0.61 | KDM4E (0.46) | — | |
| SCHEMBL15398809 | 0.60 | CYP19A1 (0.32) | — | |
| SCHEMBL28929770 | 0.60 | KMT2A (0.45) | — | |
| SCHEMBL9220580 | 0.57 | RAB9A (0.51) | — | |
| SCHEMBL9469127 | 0.54 | — | — |
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-7786308-B2 | Muscarinic modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-31 | — | — | US | disclosed |
| US-20080090826-A9 | Muscarinic modulators | VERTEX PHARMACEUTICALS (SAN DIEGO) LLC | 2008-04-17 | — | — | US | disclosed |
| US-20070054911-A1 | Muscarinic modulators | VERTEX PHARMACEUTICALS INCORPORATED | 2007-03-08 | — | — | US | disclosed |