⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14424432 | 0.87 | PTGS1 (0.32) | — | |
| SCHEMBL2874578 | 0.76 | IDO1 (0.38) | — | |
| SCHEMBL3681287 | 0.75 | DAO (0.41) | — | |
| SCHEMBL24595109 | 0.75 | PTGS1 (0.33) | — | |
| SCHEMBL6567195 | 0.73 | GPR52 (0.33) | — | |
| SCHEMBL3677267 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL8647147 | 0.71 | CNR1 (0.34) | — | |
| SCHEMBL13913195 | 0.71 | — | — | |
| SCHEMBL13913193 | 0.71 | — | — | |
| SCHEMBL21728216 | 0.71 | DAO (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1479748-B1 | Tolane derivatives and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2010-03-17 | — | — | EP | disclosed |
| US-7255811-B2 | Tolane derivatives and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2007-08-14 | — | — | US | disclosed |
| US-20040236138-A1 | Tolane derivatives and liquid crystalline medium | MERCK PATENT GMBH (DE) | 2004-11-25 | — | — | US | disclosed |
| EP-1479748-A2 | Tolane derivatives and liquid crystalline medium | MERCK PATENT GmbH (DE) | 2004-11-24 | — | — | EP | disclosed |