⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12470538 | 0.66 | — | — | |
| SCHEMBL9700070 | 0.62 | — | — | |
| SCHEMBL29865 | 0.56 | — | — | |
| SCHEMBL24916721 | 0.53 | — | — | |
| Methyl Alcohol SCHEMBL15757621 | 0.53 | PARP1 (0.38) | — | |
| Water SCHEMBL15092682 | 0.50 | PARP1 (0.41) | — | |
| SCHEMBL2866234 | 0.45 | ALDH1A1 (0.36) | — | |
| SCHEMBL10744086 | 0.45 | — | — | |
| SCHEMBL10858651 | 0.44 | TSHR (0.30) | — | |
| SCHEMBL22993 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5145858-A | Antiinflammatory | SMITHKLINE BEECHAM CORP. (US) | 1992-09-08 | — | — | US | disclosed |