⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12391615 | 0.81 | — | — | |
| SCHEMBL84481 | 0.77 | CES2 (0.39) | — | |
| SCHEMBL12248241 | 0.77 | GABRA1 (0.37) | — | |
| SCHEMBL13119615 | 0.75 | GABRA1 (0.34) | — | |
| SCHEMBL28135552 | 0.74 | GABRA1 (0.36) | — | |
| SCHEMBL10243144 | 0.71 | ACHE (0.36) | — | |
| SCHEMBL12297348 | 0.71 | FFAR4 (0.34) | — | |
| SCHEMBL12204687 | 0.71 | ESR1 (0.34) | — | |
| SCHEMBL12986137 | 0.70 | — | — | |
| SCHEMBL765120 | 0.69 | ACHE (0.37) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9951046-B2 | TRPA1 modulators | ALGOMEDIX, INC. (US) | 2018-04-24 | — | — | US | disclosed |
| US-20170001983-A1 | TRPA1 MODULATORS | ALGOMEDIX, INC. | 2017-01-05 | — | — | US | disclosed |
| US-9376425-B2 | Heterocyclic compounds as MDM2 inhibitors for the treatment of cancer | AMGEN, INC. (US) | 2016-06-28 | — | — | US | disclosed |
| US-9102599-B2 | N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-11 | — | — | US | disclosed |
| US-20140235629-A1 | HETEROCYCLIC COMPOUNDS AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER | AMGEN INC. | 2014-08-21 | — | — | US | disclosed |
| US-8642576-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-02-04 | — | — | US | disclosed |
| US-20130184279-A1 | N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-07-18 | — | — | US | disclosed |
| US-8404896-B2 | N-((3-benzyl)-2,2-(bis-phenyl)-propan-1-amine derivatives as CETP inhibitors for the treatment of atherosclerosis and cardiovascular diseases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120322761-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-12-20 | — | — | US | disclosed |
| US-8304403-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-06 | — | — | US | disclosed |
| US-7888376-B2 | Cholesteryl ester transfer protein (CETP) inhibitors; atherosclerosis and cardiovascular diseases; N-(1-(5-chloropyridin-2-yl)-1-(3-fluoro-5-(trifluoromethyl)phenyl)-2-phenylethyl)-4-(trifluoromethyl)thiazol-2-amine; Alzheimer's, atherosclerosis, venous thrombosis, peripheral vascular disease | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-15 | — | — | US | disclosed |
| US-20100267669-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2010-10-21 | — | — | US | disclosed |
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-20100041717-A1 | N-((3-BENZYL)-2,2-(BIS-PHENYL)-PROPAN-1-AMINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISEASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-18 | — | — | US | disclosed |
| US-7652023-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-01-26 | — | — | US | disclosed |
| US-20070161685-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-07-12 | — | — | US | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| US-20070135467-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |