⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14948636 | 0.95 | MEN1 (0.30) | — | |
| SCHEMBL2608124 | 0.95 | MEN1 (0.30) | — | |
| SCHEMBL12544312 | 0.90 | ESR1 (0.31) | — | |
| SCHEMBL21300894 | 0.88 | APP (0.31) | — | |
| SCHEMBL12610266 | 0.86 | — | — | |
| SCHEMBL12587471 | 0.86 | TYR (0.31) | — | |
| SCHEMBL12982335 | 0.86 | TYR (0.31) | — | |
| SCHEMBL12887132 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL20462365 | 0.83 | — | — | |
| SCHEMBL12610354 | 0.83 | — | — |
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 |