⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15250127 | 0.81 | MAPT (0.33) | — | |
| SCHEMBL15250415 | 0.79 | PRKD3 (0.31) | — | |
| SCHEMBL18359251 | 0.78 | CA1 (0.32) | — | |
| SCHEMBL19621822 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL16749928 | 0.74 | — | — | |
| SCHEMBL17523527 | 0.71 | — | — | |
| SCHEMBL16168445 | 0.71 | — | — | |
| SCHEMBL18559482 | 0.70 | — | — | |
| SCHEMBL15451575 | 0.70 | MAPT (0.31) | — | |
| SCHEMBL16855265 | 0.70 | — | — |
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-20160046863-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-02-18 | — | — | US | disclosed |
| EP-2957618-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2015-12-23 | — | — | EP | disclosed |