⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11203438 | 0.75 | KMT2A (0.34) | — | |
| SCHEMBL39066 | 0.74 | KMT2A (0.33) | — | |
| SCHEMBL13121619 | 0.74 | TSHR (0.33) | — | |
| Alcohol SCHEMBL20676748 | 0.71 | KMT2A (0.35) | — | |
| SCHEMBL4961797 | 0.70 | GAA (0.46) | — | |
| SCHEMBL9813630 | 0.68 | APLNR (0.39) | — | |
| SCHEMBL9408792 | 0.68 | — | — | |
| SCHEMBL2673713 | 0.68 | GAA (0.36) | — | |
| SCHEMBL11591744 | 0.67 | BRD4 (0.36) | — | |
| SCHEMBL6725610 | 0.67 | GAA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0874012-B1 | Coating composition for optical fiber | MITSUI TAKEDA CHEMICALS INC (JP) | 2004-03-10 | — | — | EP | disclosed |
| US-6057034-A | COMPRISING A POLYURETHANE (METH)ACRYLATE OLIGOMER MADE FORM A POLYISOCYANATE, POLYOL, AND HYDROXY-CONTAINING ACRYLATE; AN ETHYLENICALLY UNSATURATED MONOMER, AND PHOTOPOLYMERIZATION INITIATOR; LOW VISCOSITY FOR RAPID FIBER-DRAWING | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-05-02 | — | — | US | disclosed |
| EP-0874012-A1 | Coating composition for optical fiber | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-28 | — | — | EP | disclosed |