⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6904528 | 0.79 | TAS1R3 (0.39) | — | |
| SCHEMBL28502098 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL15839202 | 0.69 | TAS1R3 (0.39) | — | |
| SCHEMBL8398622 | 0.67 | TAS1R3 (0.42) | — | |
| SCHEMBL28106244 | 0.67 | TAS1R3 (0.42) | — | |
| SCHEMBL15822585 | 0.67 | TAS1R3 (0.42) | — | |
| SCHEMBL10024838 | 0.67 | — | — | |
| SCHEMBL28393329 | 0.66 | CYP3A4 (0.35) | — | |
| SCHEMBL68708 | 0.65 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL9079293 | 0.65 | HPGD (0.38) | — |
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-106414525-B | Photocurable resin composition | 电化株式会社 | 2021-09-21 | — | — | CN | disclosed |