⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL774585 | 0.77 | — | — | |
| SCHEMBL20863059 | 0.76 | CYP2D6 (0.54) | — | |
| SCHEMBL771974 | 0.72 | — | — | |
| SCHEMBL4637 | 0.72 | — | — | |
| SCHEMBL16892845 | 0.71 | — | — | |
| SCHEMBL11002877 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL437146 | 0.69 | — | — | |
| SCHEMBL3835379 | 0.69 | — | — | |
| Tert-Butanol SCHEMBL1357397 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL9938107 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116806229-A | Novel curable composition containing cyclic monomer | 株式会社德山 | 2023-09-26 | — | — | CN | disclosed |
| WO-2023154344-A1 | 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |
| WO-2020249048-A1 | ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF | 上海科技大学 | 2020-12-17 | — | — | WO | disclosed |
| US-10343980-B2 | Preparation of N,N-(di)alkylaminoalkyl(meth)acrylamide or N,N-(di)alkylaminoalkyl (meth)acrylate and the quaternary ammonium salts thereof as flocculating aids and gelling agents | EVONIK ROEHM GMBH (DE) | 2019-07-09 | — | — | US | disclosed |
| US-20170369424-A1 | PREPARATION OF N,N-(DI)ALKYLAMINOALKYL(METH)ACRYLAMIDE OR N,N-(DI)ALKYLAMINOALKYL (METH)ACRYLATE AND THE QUATERNARY AMMONIUM SALTS THEREOF AS FLOCCULATING AIDS AND GELLING AGENTS | EVONIK ROEHM GMBH (DE) | 2017-12-28 | — | — | US | disclosed |
| US-9168259-B2 | Substituted 6-amino-nicotinamides as KCNQ2/3 modulators | Grünenthal GmbH (DE) | 2015-10-27 | — | — | US | disclosed |
| EP-2558457-A1 | ARYLETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| US-20120258947-A1 | SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS | GRUNENTHAL GMBH (DE) | 2012-10-11 | — | — | US | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |
| EP-1567498-B1 | MANDELIC ACID DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | EP | disclosed |