⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19622520 | 1.00 | — | — | |
| SCHEMBL19610499 | 0.92 | TSHR (0.33) | — | |
| SCHEMBL19622521 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL23097495 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL18240012 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL16919272 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL17256253 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL6997722 | 0.71 | — | — | |
| SCHEMBL18227311 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL15222116 | 0.69 | ALDH1A1 (0.43) | — |
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-3246353-B1 | USE OF SURFACTANTS TO EXTRACT A PLATINUM GROUP METAL OR GOLD FROM ORGANIC COMPOSITIONS | CENTRE NAT RECH SCIENT (FR) | 2021-03-17 | — | — | EP | disclosed |
| EP-3298066-B1 | DENDRI-TAC AND THEIR USE AS THERANOSTICS | UNIV D'AVIGNON ET DES PAYS DE VAUCLUSE (FR) | 2019-08-07 | — | — | EP | disclosed |