⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16588496 | 0.95 | CHRM2 (0.31) | — | |
| SCHEMBL18087355 | 0.90 | — | — | |
| SCHEMBL13299245 | 0.88 | — | — | |
| SCHEMBL18069639 | 0.88 | — | — | |
| SCHEMBL18072214 | 0.87 | — | — | |
| SCHEMBL13299259 | 0.83 | CHRM2 (0.31) | — | |
| SCHEMBL25605997 | 0.80 | CHRM2 (0.33) | — | |
| SCHEMBL26762766 | 0.75 | — | — | |
| SCHEMBL10030798 | 0.74 | CYP19A1 (0.35) | — | |
| SCHEMBL18251847 | 0.74 | CYP19A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3260518-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-12-27 | — | — | EP | disclosed |
| EP-3257916-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-12-20 | — | — | EP | disclosed |
| EP-3235894-A2 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-10-25 | — | — | EP | disclosed |
| EP-2691490-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-07-26 | — | — | EP | disclosed |
| EP-2937401-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-04-05 | — | — | EP | disclosed |
| EP-2208774-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2016-07-06 | — | — | EP | disclosed |
| EP-2957618-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2015-12-23 | — | — | EP | disclosed |
| EP-2534223-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-10-21 | — | — | EP | disclosed |
| EP-2883934-A1 | Liquid-crystalline medium | Merck Patent GmbH (DE) | 2015-06-17 | — | — | EP | disclosed |