⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16628617 | 0.74 | SYK (0.30) | — | |
| SCHEMBL16628538 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL16628540 | 0.68 | CA12 (0.32) | — | |
| SCHEMBL430482 | 0.66 | CXCR4 (0.40) | — | |
| SCHEMBL16628616 | 0.64 | KMT2A (0.34) | — | |
| SCHEMBL6289791 | 0.62 | GABRR1 (0.31) | — | |
| SCHEMBL16374910 | 0.61 | GAA (0.43) | — | |
| SCHEMBL20375134 | 0.61 | CYP1A2 (0.52) | — | |
| SCHEMBL428279 | 0.61 | CYP1A2 (0.52) | — | |
| SCHEMBL15836256 | 0.60 | GAA (0.47) | — |
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-111050929-B | Laminate and method for producing same | ＡＧＣ株式会社 | 2022-07-22 | — | — | CN | disclosed |