⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29535498 | 0.74 | HSP90AA1 (0.45) | — | |
| SCHEMBL1083427 | 0.74 | HSP90AA1 (0.45) | — | |
| SCHEMBL29361805 | 0.74 | — | — | |
| SCHEMBL1066257 | 0.74 | NOS3 (0.56) | — | |
| SCHEMBL88338 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL3635798 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL9861038 | 0.72 | NOS3 (0.54) | — | |
| SCHEMBL20481061 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3634586 | 0.72 | NOS3 (0.54) | — | |
| Hydrochloric Acid SCHEMBL30705723 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011119694-A1 | TRPV4 ANTAGONISTS | GLAXOSMITHKLINE LLC (US) | 2011-09-29 | — | — | WO | disclosed |