⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22789099 | 1.00 | — | — | |
| SCHEMBL5139447 | 1.00 | — | — | |
| SCHEMBL12105152 | 0.94 | CYP1A2 (0.50) | — | |
| SCHEMBL11466505 | 0.80 | — | — | |
| SCHEMBL14393428 | 0.78 | — | — | |
| SCHEMBL8175802 | 0.78 | — | — | |
| SCHEMBL18609737 | 0.78 | — | — | |
| SCHEMBL7168784 | 0.78 | — | — | |
| SCHEMBL12643568 | 0.77 | CHRM1 (0.47) | — | |
| SCHEMBL3990357 | 0.76 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103038924-B | Method for producing lithium or sodium batteries | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-03-16 | — | — | CN | claimed |
| US-8796472-B2 | Mixtures of itaconic acid or itaconic acid derivatives and primary amines for producing 1,3- and 1,4-alkyl methyl pyrrolidones | BASF SE (DE) | 2014-08-05 | — | — | US | claimed |
| CN-103038924-A | Method for producing lithium or sodium batteries | CENTRE NAT RECH SCIENT | 2013-04-10 | — | — | CN | claimed |
| US-20110251119-A1 | MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES | BASF SE (DE) | 2011-10-13 | — | — | US | claimed |
| EP-2373617-A1 | MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES | BASF SE (DE) | 2011-10-12 | — | — | EP | claimed |
| WO-2010063617-A1 | MIXTURES OF ITACONIC ACID OR ITACONIC ACID DERIVATIVES AND PRIMARY AMINES FOR PRODUCING 1,3- AND 1,4-ALKYL METHYL PYRROLIDONES | BASF SE (DE) | 2010-06-10 | — | — | WO | claimed |
| CN-108314639-B | Compound (E) -3-(1- methylpyrrolidin- 2- yl)-acrylic acid hydrochloride and synthetic method | 山东铂源药业有限公司 | 2019-04-30 | — | — | CN | disclosed |
| CN-108314639-A | Compound（E）-3-（1- methylpyrrolidin- 2- bases）Acrylic acid hydrochloride and synthetic method | 山东铂源药业有限公司 | 2018-07-24 | — | — | CN | disclosed |
| CN-103038924-B | Method for producing lithium or sodium batteries | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2016-03-16 | — | — | CN | disclosed |
| CN-103038924-A | Method for producing lithium or sodium batteries | CENTRE NAT RECH SCIENT | 2013-04-10 | — | — | CN | disclosed |
| EP-1611889-A1 | ANTIBACTERIAL AGENT AND ANTICANCER AGENT | MITSUBISHI CORPORATION (JP) | 2006-01-04 | — | — | EP | disclosed |