⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6477519 | 0.79 | — | — | |
| SCHEMBL21215136 | 0.68 | — | — | |
| Acrylonitrile SCHEMBL11659938 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL718948 | 0.67 | — | — | |
| SCHEMBL24247750 | 0.67 | — | — | |
| SCHEMBL11125351 | 0.65 | — | — | |
| SCHEMBL11762838 | 0.65 | — | — | |
| SCHEMBL18676981 | 0.64 | — | — | |
| SCHEMBL25011731 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL585252 | 0.64 | ALDH1A1 (0.35) | — |
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-20110020251-A1 | Ultraviolet-Absorbing Compounds | AVOCA LLC | 2011-01-27 | — | — | US | claimed |
| US-8673272-B2 | Ultraviolet-absorbing compounds | ISP INVESTMENTS INC. (US) | 2014-03-18 | — | — | US | disclosed |
| US-20110020251-A1 | Ultraviolet-Absorbing Compounds | AVOCA LLC | 2011-01-27 | — | — | US | disclosed |