⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7210215 | 1.00 | — | — | |
| SCHEMBL6659690 | 0.88 | HDAC3 (0.33) | — | |
| SCHEMBL6053790 | 0.88 | HDAC3 (0.33) | — | |
| SCHEMBL2404760 | 0.64 | — | — | |
| SCHEMBL19500886 | 0.64 | — | — | |
| SCHEMBL14346579 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL6964110 | 0.58 | — | — | |
| SCHEMBL13508754 | 0.58 | — | — | |
| SCHEMBL4194302 | 0.55 | — | — | |
| SCHEMBL9004448 | 0.55 | CES2 (0.33) | — |
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-1339671-A2 | 1,7 AND 1,9-DIARYLPOLYMETHINE SALTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002046139-A2 | 1,7 AND 1,9-DIARYLPOLYMETHINE SALTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2002-06-13 | — | — | WO | disclosed |