⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20028043 | 0.81 | — | — | |
| SCHEMBL24428723 | 0.81 | — | — | |
| SCHEMBL2632037 | 0.81 | — | — | |
| SCHEMBL18779952 | 0.81 | CYP2D6 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5801068 | 0.78 | SLC6A2 (0.33) | — | |
| SCHEMBL13162559 | 0.78 | CHRNB2 (0.47) | — | |
| SCHEMBL13162563 | 0.78 | CHRNB2 (0.47) | — | |
| SCHEMBL5229098 | 0.78 | CHRNB2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL1224656 | 0.77 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4432611 | 0.77 | CHRNB2 (0.46) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210093618-A1 | SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2021-04-01 | — | — | US | disclosed |
| US-20200113901-A1 | METHODS OF USING EHMT2 INHIBITORS | Epizyme, Inc. | 2020-04-16 | — | — | US | disclosed |
| US-20170355712-A1 | AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS | Epizyme, Inc. | 2017-12-14 | — | — | US | disclosed |
| EP-2400846-B1 | HEPATITIS C VIRUS INHIBITORS | ENANTA PHARM INC (US) | 2016-10-05 | — | — | EP | disclosed |
| US-8901111-B2 | Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase | JANSSEN PHARMACEUTICA NV (BE) | 2014-12-02 | — | — | US | disclosed |
| US-20140171407-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2014-06-19 | — | — | US | disclosed |
| WO-2014078331-A1 | N-(ARYLALKYL)-N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2014-05-22 | — | — | WO | disclosed |
| US-20130065882-A1 | VLA-4 inhibitory drug | MACHINAGA NOBUO (JP) | 2013-03-14 | — | — | US | disclosed |
| US-20120157437-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-06-21 | — | — | US | disclosed |
| US-20120088741-A1 | ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE | JANSSEN PHARMACEUTICA NV (BE) | 2012-04-12 | — | — | US | disclosed |
| US-8129366-B2 | VLA-4 inhibitory drug | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20110183938-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2011-07-28 | — | — | US | disclosed |
| US-20090233901-A1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2009-09-17 | — | — | US | disclosed |