⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16265236 | 0.84 | ESR1 (0.38) | — | |
| SCHEMBL17694358 | 0.76 | ESR1 (0.32) | — | |
| SCHEMBL16265326 | 0.71 | AHR (0.38) | — | |
| SCHEMBL21537444 | 0.71 | — | — | |
| SCHEMBL20806065 | 0.71 | CYP1A1 (0.41) | — | |
| SCHEMBL17694363 | 0.70 | HRH3 (0.35) | — | |
| SCHEMBL16265270 | 0.68 | S1PR1 (0.39) | — | |
| SCHEMBL16265325 | 0.68 | RARB (0.41) | — | |
| SCHEMBL20806198 | 0.67 | ESR1 (0.37) | — | |
| SCHEMBL21935251 | 0.66 | ESR1 (0.35) | — |
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-3129829-B1 | LIQUID CRYSTAL MATERIAL | MERCK PATENT GMBH (DE) | 2019-10-30 | — | — | EP | disclosed |