⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28505980 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL28492091 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL3918064 | 0.82 | CA1 (0.37) | — | |
| SCHEMBL21360009 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL3916914 | 0.77 | CA1 (0.40) | — | |
| SCHEMBL28904394 | 0.76 | TDP1 (0.31) | — | |
| SCHEMBL30540350 | 0.76 | — | — | |
| SCHEMBL3918475 | 0.76 | CA1 (0.39) | — | |
| SCHEMBL3908813 | 0.76 | CA1 (0.39) | — | |
| SCHEMBL3910836 | 0.76 | CA1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112142926-A | Curable composition, laminate, and automobile headlamp lens | 三菱化学株式会社 | 2020-12-29 | — | — | CN | disclosed |