⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12718363 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL29459628 | 0.74 | CRBN (0.41) | — | |
| SCHEMBL14106693 | 0.74 | CRBN (0.41) | — | |
| SCHEMBL2930591 | 0.73 | RXFP1 (0.38) | — | |
| SCHEMBL2775 | 0.73 | GAA (0.37) | — | |
| SCHEMBL2220319 | 0.71 | — | — | |
| SCHEMBL24548437 | 0.70 | CRBN (0.50) | — | |
| SCHEMBL21264901 | 0.70 | TAS2R38 (0.35) | — | |
| SCHEMBL12976505 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL28356740 | 0.70 | CRBN (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106172483-A | A kind of compositions preventing and treating eating-core bean worm and preparation method thereof | 项正威 | 2016-12-07 | — | — | CN | disclosed |
| CN-105842765-A | Retro-reflective product including optically active areas and optically inactive areas | 3M创新有限公司 | 2016-08-10 | — | — | CN | disclosed |
| CN-102844175-B | Including optical active areas with without the retroreflective articles of optical active areas | 3M创新有限公司 | 2016-08-03 | — | — | CN | disclosed |