⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8588269 | 0.91 | — | — | |
| SCHEMBL299966 | 0.90 | — | — | |
| SCHEMBL3435848 | 0.87 | — | — | |
| SCHEMBL10436449 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL27610801 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL296361 | 0.85 | — | — | |
| SCHEMBL296117 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL2281605 | 0.79 | — | — | |
| SCHEMBL3682811 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL4765397 | 0.76 | GAA (0.42) | — |
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-5494493-A | DYEING POLYAMIDE AND POLYESTER FIBERS | DYSTAR JAPAN LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0659841-A2 | Disperse dye mixture | DyStar Japan Ltd. (JP) | 1995-06-28 | — | — | EP | disclosed |