⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL371918 | 0.82 | ATM (0.32) | — | |
| SCHEMBL28301699 | 0.82 | ATM (0.32) | — | |
| SCHEMBL2115150 | 0.82 | ATM (0.32) | — | |
| SCHEMBL23523109 | 0.80 | PLG (0.32) | — | |
| SCHEMBL4934198 | 0.78 | NR1H2 (0.43) | — | |
| SCHEMBL29071546 | 0.78 | — | — | |
| SCHEMBL372038 | 0.75 | POLB (0.37) | — | |
| SCHEMBL5937915 | 0.75 | POLB (0.37) | — | |
| SCHEMBL2428503 | 0.75 | POLB (0.32) | — | |
| SCHEMBL372089 | 0.74 | — | — |
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-111511738-A | Heteroaromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-08-07 | — | — | CN | disclosed |