⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9763646 | 0.86 | — | — | |
| SCHEMBL12718777 | 0.83 | — | — | |
| SCHEMBL20173255 | 0.83 | CYP11B1 (0.35) | — | |
| SCHEMBL10013945 | 0.83 | CYP11B1 (0.31) | — | |
| SCHEMBL15985674 | 0.82 | CYP11B1 (0.36) | — | |
| SCHEMBL12657199 | 0.81 | — | — | |
| SCHEMBL13614599 | 0.80 | — | — | |
| SCHEMBL13408478 | 0.80 | SLC6A2 (0.38) | — | |
| SCHEMBL28527960 | 0.80 | CYP19A1 (0.33) | — | |
| SCHEMBL18176037 | 0.79 | HTR2A (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7704566-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2010-04-27 | — | — | US | disclosed |
| US-7704566-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2010-04-27 | — | — | US | disclosed |