⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2257571 | 0.75 | — | — | |
| SCHEMBL12697346 | 0.72 | — | — | |
| SCHEMBL9773432 | 0.71 | — | — | |
| SCHEMBL8259640 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL4986973 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL9192589 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL1276341 | 0.67 | TSHR (0.40) | — | |
| Ether SCHEMBL11858 | 0.67 | ALDH1A1 (0.57) | — | |
| SCHEMBL90144 | 0.67 | — | — | |
| SCHEMBL14992218 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6159249-A | Dye composition and method for dyeing hydrophobic fiber with the same | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0939108-A1 | DYE COMPOSITION AND METHOD FOR DYEING HYDROPHOBIC FIBER WITH THE SAME | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 1999-09-01 | — | — | EP | disclosed |