⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL635169 | 0.77 | OPRL1 (0.32) | — | |
| SCHEMBL9375095 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL10343958 | 0.75 | SHBG (0.34) | — | |
| SCHEMBL15236537 | 0.75 | SHBG (0.34) | — | |
| Hydrochloric Acid SCHEMBL29030884 | 0.75 | GNAI3 (0.32) | — | |
| SCHEMBL2551242 | 0.74 | — | — | |
| SCHEMBL31241432 | 0.74 | MAOA (0.32) | — | |
| SCHEMBL134119 | 0.74 | ALDH1A1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL10325430 | 0.73 | SHBG (0.33) | — | |
| SCHEMBL539166 | 0.73 | — | — |
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-8389606-B2 | Asphalt mixture | KAO CORPORATION (JP) | 2013-03-05 | — | — | US | disclosed |
| US-20120059093-A1 | ASPHALT MIXTURE | KAO CORPORATION (JP) | 2012-03-08 | — | — | US | disclosed |
| EP-2407517-A1 | ASPHALT MIXTURE | Kao Corporation (JP) | 2012-01-18 | — | — | EP | disclosed |