⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9343879 | 0.74 | — | — | |
| SCHEMBL2053698 | 0.74 | CYP3A4 (0.31) | — | |
| SCHEMBL9822490 | 0.73 | LMNA (0.34) | — | |
| SCHEMBL8871545 | 0.72 | — | — | |
| SCHEMBL28497162 | 0.72 | — | — | |
| SCHEMBL7895231 | 0.72 | — | — | |
| SCHEMBL1775924 | 0.71 | — | — | |
| SCHEMBL1455025 | 0.71 | — | — | |
| SCHEMBL12808942 | 0.70 | — | — | |
| SCHEMBL10316182 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2736885-B1 | QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) | SUN PHARMA ADVANCED RES CO LTD (IN) | 2020-03-25 | — | — | EP | disclosed |
| US-9481643-B2 | Fluorosurfactants | MERCK PATENT GMBH (DE) | 2016-11-01 | — | — | US | disclosed |
| US-20150246875-A1 | FLUOROSURFACTANTS | MERCK PATENT GMBH (DE) | 2015-09-03 | — | — | US | disclosed |
| US-20040181094-A1 | Transition metal oxo complexes as catalysts of synthetic processes involving alkyne reactants | REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE | 2004-09-16 | — | — | US | disclosed |