⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1640993 | 0.81 | HSD17B1 (0.31) | — | |
| SCHEMBL28311234 | 0.75 | MMP3 (0.33) | — | |
| SCHEMBL28024657 | 0.74 | — | — | |
| SCHEMBL28462570 | 0.73 | MMP3 (0.31) | — | |
| SCHEMBL7261422 | 0.73 | P2RY6 (0.33) | — | |
| SCHEMBL27883625 | 0.73 | — | — | |
| SCHEMBL18917419 | 0.72 | MAOA (0.34) | — | |
| SCHEMBL28008851 | 0.72 | — | — | |
| SCHEMBL1639283 | 0.72 | PRKCI (0.33) | — | |
| SCHEMBL18917439 | 0.72 | KMO (0.37) | — |
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 |