⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL914170 | 0.78 | — | — | |
| SCHEMBL17395576 | 0.78 | — | — | |
| SCHEMBL27639506 | 0.76 | — | — | |
| SCHEMBL10245619 | 0.74 | — | — | |
| SCHEMBL17395587 | 0.72 | — | — | |
| SCHEMBL2688792 | 0.72 | — | — | |
| SCHEMBL9801988 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL17460541 | 0.69 | — | — | |
| SCHEMBL914857 | 0.69 | — | — | |
| SCHEMBL3938413 | 0.69 | — | — |
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-7897781-B2 | Cold menthol receptor-1 antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2011-03-01 | — | — | US | disclosed |
| US-20080287398-A1 | COLD MENTHOL RECEPTOR-1 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-11-20 | — | — | US | disclosed |
| US-20080027029-A1 | COLD MENTHOL RECEPTOR-1 ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-01-31 | — | — | US | disclosed |