⚠ 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 | 1.00 | — | — | |
| SCHEMBL24428723 | 1.00 | — | — | |
| SCHEMBL13162563 | 0.88 | CHRNB2 (0.47) | — | |
| SCHEMBL5229098 | 0.88 | CHRNB2 (0.47) | — | |
| SCHEMBL13162559 | 0.88 | CHRNB2 (0.47) | — | |
| SCHEMBL91544 | 0.86 | TDP1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1224660 | 0.86 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL4432611 | 0.86 | CHRNB2 (0.46) | — | |
| Hydrochloric Acid SCHEMBL1224656 | 0.86 | CHRNB2 (0.46) | — | |
| SCHEMBL17706204 | 0.83 | CHRNB2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230233560-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-07-27 | — | — | US | disclosed |
| US-20210052584-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-02-25 | — | — | US | disclosed |
| US-20180185364-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-07-05 | — | — | US | disclosed |
| US-20170355712-A1 | AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS | Epizyme, Inc. | 2017-12-14 | — | — | US | disclosed |
| US-20170196862-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-07-13 | — | — | US | disclosed |
| US-20170137420-A1 | PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2017-05-18 | — | — | US | disclosed |
| CN-105037382-A | Bergenin derivatives, and preparation method and application thereof | UNIV CHINA PHARMA | 2015-11-11 | — | — | CN | 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-20120094976-A1 | NEW CHEMICAL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-04-19 | — | — | US | disclosed |
| US-20110183938-A1 | 1,7-DIAZACARBAZOLES AND METHODS OF USE | GENENTECH, INC. (US) | 2011-07-28 | — | — | US | disclosed |