⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31116785 | 1.00 | — | — | |
| SCHEMBL30711689 | 0.90 | DRD2 (0.45) | — | |
| SCHEMBL22325 | 0.90 | DRD2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL8155047 | 0.89 | — | — | |
| SCHEMBL31116746 | 0.81 | HRH3 (0.35) | — | |
| SCHEMBL31691890 | 0.78 | HRH3 (0.43) | — | |
| SCHEMBL8647354 | 0.78 | HRH3 (0.43) | — | |
| SCHEMBL31116758 | 0.77 | DRD2 (0.42) | — | |
| SCHEMBL31116976 | 0.77 | DRD2 (0.42) | — | |
| SCHEMBL31116939 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078392-A1 | 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2023-05-11 | — | — | WO | disclosed |
| WO-2023078392-A1 | 2-(ARYL-2-YL) MORPHOLINE AND DEUTERATED DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海翰森生物医药科技有限公司 | 2023-05-11 | — | — | WO | disclosed |
| US-8445512-B2 | Substituted quinoline-3-carboxamides as KCNQ2/3 modulators | GRUENENTHAL GMBH (DE) | 2013-05-21 | — | — | US | disclosed |
| US-20120053204-A1 | Substituted quinoline-3-carboxamides as KCNQ2/3 modulators | GRUNENTHAL GMBH (DE) | 2012-03-01 | — | — | US | disclosed |
| WO-2010094645-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2010-08-26 | — | — | WO | disclosed |