⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27122607 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL28541499 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL28121892 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL27787590 | 0.78 | KIT (0.31) | — | |
| SCHEMBL3992978 | 0.78 | TAAR1 (0.42) | — | |
| SCHEMBL7257246 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL3995632 | 0.76 | HSD17B10 (0.38) | — | |
| SCHEMBL28809817 | 0.76 | HRH3 (0.35) | — | |
| SCHEMBL5050049 | 0.74 | — | — | |
| SCHEMBL12076189 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030203888-A1 | Chromophores | WELLCOME TRUST LIMITED, THE (GB) | 2003-10-30 | — | — | US | disclosed |
| EP-1294726-A2 | IMPROVEMENTS IN AND RELATING TO CHROMOPHORES | Catalyst Biomedica Ltd (GB) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000662-A1 | IMPROVEMENTS IN AND RELATING TO CHROMOPHORES | CATALYST BIOMEDICA LIMITED (GB) | 2002-01-03 | — | — | WO | disclosed |