⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1443149 | 0.76 | — | — | |
| SCHEMBL3220943 | 0.76 | — | — | |
| SCHEMBL3678326 | 0.76 | — | — | |
| SCHEMBL4199755 | 0.73 | — | — | |
| SCHEMBL152864 | 0.72 | — | — | |
| SCHEMBL5962327 | 0.71 | ESR1 (0.43) | — | |
| SCHEMBL681105 | 0.71 | — | — | |
| SCHEMBL8670495 | 0.71 | ALOX5 (0.43) | — | |
| SCHEMBL1548710 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL29064117 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0390878-A1 | OPTICALLY ANISOTROPIC PHOTOCHROMIC MATERIALS AND APPLICATIONS | PLESSEY OVERSEAS LIMITED (GB) | 1990-10-10 | — | — | EP | disclosed |
| WO-1989011674-A1 | OPTICALLY ANISOTROPIC PHOTOCHROMIC MATERIALS AND APPLICATIONS | PLESSEY OVERSEAS LIMITED (GB) | 1989-11-30 | — | — | WO | disclosed |