⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10072292 | 0.79 | — | — | |
| SCHEMBL18827412 | 0.75 | TP53 (0.30) | — | |
| Formic Acid SCHEMBL2703761 | 0.73 | TP53 (0.32) | — | |
| SCHEMBL20237364 | 0.73 | TP53 (0.32) | — | |
| SCHEMBL25173 | 0.71 | — | — | |
| SCHEMBL3490802 | 0.71 | — | — | |
| Formamide SCHEMBL11348419 | 0.71 | GABRP (0.32) | — | |
| SCHEMBL60935 | 0.71 | — | — | |
| SCHEMBL1741701 | 0.71 | — | — | |
| SCHEMBL918816 | 0.71 | TP53 (0.44) | — |
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-119371582-A | Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof | 中国石油化工股份有限公司 | 2025-01-28 | — | — | CN | disclosed |