⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21300984 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL12174841 | 0.78 | ESR1 (0.31) | — | |
| SCHEMBL12757438 | 0.70 | ESR2 (0.38) | — | |
| SCHEMBL20764832 | 0.65 | HSD17B1 (0.44) | — | |
| SCHEMBL12737925 | 0.64 | DAO (0.31) | — | |
| SCHEMBL18559778 | 0.64 | NPC1 (0.39) | — | |
| SCHEMBL17791436 | 0.64 | SNCA (0.38) | — | |
| SCHEMBL2183304 | 0.63 | — | — | |
| SCHEMBL3188614 | 0.63 | — | — | |
| SCHEMBL2895252 | 0.63 | CYP2A6 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2776515-B1 | ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2019-08-28 | — | — | EP | disclosed |