⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7058931 | 0.91 | THRB (0.33) | — | |
| SCHEMBL7057794 | 0.90 | THRB (0.32) | — | |
| SCHEMBL11517359 | 0.89 | LMNA (0.32) | — | |
| SCHEMBL11514257 | 0.89 | SERPINE1 (0.33) | — | |
| SCHEMBL11516290 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL11516315 | 0.84 | — | — | |
| SCHEMBL4653862 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL11514261 | 0.81 | ATM (0.31) | — | |
| SCHEMBL4653740 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL11514688 | 0.79 | NAAA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4136105-A | POLYMERIZATION CATALYSTS, CURING AGENTS, FOR UNSATURATED POLYESTERS | PENNWALT CORPORATION (US) | 1979-01-23 | — | — | US | disclosed |