⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL994997 | 0.65 | — | — | |
| SCHEMBL2869075 | 0.65 | — | — | |
| SCHEMBL30099834 | 0.64 | ALDH1A1 (0.67) | — | |
| SCHEMBL8194 | 0.64 | ALDH1A1 (0.67) | — | |
| SCHEMBL18594 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL275756 | 0.62 | MAPT (0.41) | — | |
| Hydrochloric Acid SCHEMBL3710107 | 0.61 | ALDH1A1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL3704751 | 0.61 | ALDH1A1 (0.63) | — | |
| Hydrogen Sulfide SCHEMBL29184282 | 0.61 | ALDH1A1 (0.63) | — | |
| Hydrochloric Acid SCHEMBL3439030 | 0.61 | ALDH1A1 (0.63) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997011936-A1 | PREPARATION OF CARBOXYALKYL DERIVATIVES | MERCK & CO., INC. (US) | 1997-04-03 | — | — | WO | claimed |
| CN-111225672-A | Mevalonate pathway inhibitors and pharmaceutical compositions thereof | 清华大学 | 2020-06-02 | — | — | CN | disclosed |
| US-8153634-B2 | Carbinol derivatives having cyclic linker | KOWA COMPANY, LTD. (JP) | 2012-04-10 | — | — | US | disclosed |
| US-8008306-B2 | Quinoline compounds | KOWA COMPANY, LTD. (JP) | 2011-08-30 | — | — | US | disclosed |
| EP-2281817-A1 | SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER | Kowa Company, Ltd. (JP) | 2011-02-09 | — | — | EP | disclosed |
| EP-2272843-A1 | QUINOLINE COMPOUND | Kowa Company, Ltd. (JP) | 2011-01-12 | — | — | EP | disclosed |
| US-20100048610-A1 | CARBINOL DERIVATIVES HAVING CYCLIC LINKER | KOWA COMPANY, LTD. (JP) | 2010-02-25 | — | — | US | disclosed |
| US-20100016327-A1 | QUINOLINE COMPOUNDS | KOWA COMPANY, LTD. (JP) | 2010-01-21 | — | — | US | disclosed |
| US-5574070-A | Substituted guanidines having high binding to the sigma receptor and the use thereof | STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) | 1996-11-12 | — | — | US | disclosed |
| WO-1995029689-A1 | N-CARBOXYALKYL DERIVATIVES AS ANTIDEGENERATIVE ACTIVE AGENTS | MERCK & CO., INC. (US) | 1995-11-09 | — | — | WO | disclosed |