⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16265318 | 0.86 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL16265316 | 0.80 | CYP3A4 (0.35) | — | |
| SCHEMBL22299394 | 0.77 | RAB9A (0.41) | — | |
| SCHEMBL16265238 | 0.77 | CYP3A4 (0.36) | — | |
| SCHEMBL21537517 | 0.75 | — | — | |
| SCHEMBL21537451 | 0.74 | — | — | |
| SCHEMBL19119557 | 0.74 | RARA (0.35) | — | |
| SCHEMBL17694318 | 0.74 | CYP3A4 (0.33) | — | |
| SCHEMBL21537515 | 0.73 | APP (0.34) | — | |
| SCHEMBL21201818 | 0.73 | — | — |
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 |