⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28061546 | 0.71 | — | — | |
| SCHEMBL17769185 | 0.67 | TOP2A (0.35) | — | |
| SCHEMBL498571 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL16051192 | 0.63 | PTGS2 (0.30) | — | |
| SCHEMBL2763120 | 0.62 | — | — | |
| SCHEMBL11983334 | 0.61 | — | — | |
| SCHEMBL3533339 | 0.55 | — | — | |
| SCHEMBL918884 | 0.53 | TDP1 (0.42) | — | |
| SCHEMBL13080930 | 0.51 | — | — | |
| SCHEMBL1375486 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016065586-A1 | PYRAZOLE, TRIAZOLE AND TETRAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-05-06 | — | — | WO | disclosed |
| CN-102336749-A | Allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMACEUTICALS SA | 2012-02-01 | — | — | CN | disclosed |
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | WO | disclosed |