⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44332 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL1590056 | 0.92 | — | — | |
| SCHEMBL19732912 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081546 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL1081557 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL21239945 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL48238 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL14646010 | 0.85 | — | — | |
| SCHEMBL2324444 | 0.85 | KMT2A (0.31) | — | |
| SCHEMBL6510103 | 0.82 | — | — |
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-113518791-B | Storage-stable pigment-containing isocyanate-group-containing formulations having an isocyanate-group-containing grinding resin and use thereof | 科思创知识产权两合公司 | 2023-08-08 | — | — | CN | disclosed |
| US-5212209-A | Compositions for forming polyurethanes for molding materials | THE DOW CHEMICAL COMPANY (US) | 1993-05-18 | — | — | US | disclosed |
| EP-0490342-A2 | Compatibilized internal mold release compositions for preparation of foamed and fiber-reinforced polymeric articles | THE DOW CHEMICAL COMPANY (US) | 1992-06-17 | — | — | EP | disclosed |