⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5674110 | 0.87 | — | — | |
| SCHEMBL3633978 | 0.86 | TRPV1 (0.51) | — | |
| SCHEMBL4887198 | 0.85 | — | — | |
| SCHEMBL1379619 | 0.84 | ADRA2A (0.46) | — | |
| SCHEMBL955247 | 0.84 | TRPV1 (0.51) | — | |
| Hydrochloric Acid SCHEMBL5673491 | 0.82 | TRPV1 (0.50) | — | |
| SCHEMBL12678526 | 0.81 | TRPV1 (0.51) | — | |
| SCHEMBL5676125 | 0.80 | TRPV1 (0.51) | — | |
| SCHEMBL1659054 | 0.79 | TRPV1 (0.52) | — | |
| SCHEMBL14831186 | 0.78 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4799562-B2 | — | — | 2011-10-26 | — | — | JP | claimed |