⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14301053 | 0.88 | CYP3A4 (0.41) | — | |
| SCHEMBL14275890 | 0.78 | DPP4 (0.46) | — | |
| SCHEMBL14275889 | 0.78 | MAPT (0.44) | — | |
| SCHEMBL14275891 | 0.78 | CYP3A4 (0.44) | — | |
| SCHEMBL7445807 | 0.77 | — | — | |
| SCHEMBL7435357 | 0.77 | — | — | |
| SCHEMBL11401565 | 0.77 | — | — | |
| SCHEMBL2080415 | 0.76 | — | — | |
| SCHEMBL7632237 | 0.76 | — | — | |
| SCHEMBL2077624 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170349544-A1 | Ethynylbenzene Derivatives | DUKE UNIVERSITY | 2017-12-07 | — | — | US | disclosed |
| US-7332509-B2 | Heterocyclic amides, a process for their preparation, compositions comprising them and their use | MERIAL LIMITED (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1434485-B1 | NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES | MERIAL LTD (US) | 2007-05-16 | — | — | EP | disclosed |