⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8707994 | 0.81 | MAOA (0.31) | — | |
| SCHEMBL31347184 | 0.75 | GPR3 (0.44) | — | |
| SCHEMBL8703074 | 0.70 | EPRS1 (0.40) | — | |
| SCHEMBL10674984 | 0.69 | — | — | |
| SCHEMBL8702455 | 0.69 | CYP1A2 (0.35) | — | |
| SCHEMBL6714495 | 0.68 | — | — | |
| SCHEMBL8486872 | 0.67 | HSD17B10 (0.39) | — | |
| SCHEMBL8703308 | 0.66 | ESR1 (0.40) | — | |
| SCHEMBL31413153 | 0.65 | GPR3 (0.44) | — | |
| SCHEMBL10623525 | 0.65 | MYC (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770709-A | BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING | DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) | 1998-06-23 | — | — | US | disclosed |