SCHEMBL3681640

SCHEMBL3681640

CCCNC(C)CO

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL12776508 1.00
SCHEMBL14712859 1.00
Hydrochloric Acid SCHEMBL2080424 0.97
Hydrochloric Acid SCHEMBL2080422 0.97
SCHEMBL2450671 0.84
SCHEMBL299216 0.82 CNR2 (0.49)
SCHEMBL11683157 0.80 CNR1 (0.51)
SCHEMBL11599964 0.80 CNR1 (0.51)
SCHEMBL9745341 0.80 CNR1 (0.51)
SCHEMBL11599714 0.80 CNR1 (0.51)

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649109-A1 POLYURETHANE ELASTOMERS MADE USING MIXTURES OF ALIPHATIC DIOL CHAIN EXTENDER AND SECONDARY AMINE Dow Global Technologies LLC (US) 2013-10-16 EP claimed
WO-2012078322-A1 POLYURETHANE ELASTOMERS MADE USING MIXTURES OF ALIPHATIC DIOL CHAIN EXTENDER AND SECONDARY AMINE DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-14 WO claimed
EP-3165541-B1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-09-09 EP disclosed
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP 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
CN-104220413-B Method for producing 4-hydroxybutyl acrylate 大阪有机化学工业株式会社 2018-12-04 CN disclosed
EP-3015449-B1 (METH)ACRYLATE PRODUCTION SYSTEM OSAKA ORGANIC CHEMICAL IND LTD (JP) 2018-10-10 EP 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-9670129-B2 Process for preparing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-06-06 US disclosed
US-20170145216-A1 RHODAMINE-BASED COLORING COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-25 US disclosed
US-20170137553-A1 GRAFT POLYMER, RESIN COLORED MATTER, METHOD FOR PRODUCING SAME, AND RESIN COMPOSITION CONTAINING RESIN COLORED MATTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2017-05-18 US disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
WO-2002025205-A1 OPTICAL DATA STORAGE DEVICE CONTAINING A CO-PHTHALOCYANIN COMPLEX IN THE OPTICALLY WRITABLE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0838508-B1 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORP (JP) 2001-08-29 EP disclosed
EP-1046640-A2 Process for preparing substituted phenyl boronic acids Clariant GmbH (DE) 2000-10-25 EP disclosed
US-5871572-A COLORANT, WATER, A WATER-SOLUBLE ORGANIC SOLVENT, AND PECTIC ACID SEIKO EPSON CORPORATION (JP) 1999-02-16 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
EP-0838508-A2 Aqueous ink composition for use in an ink-jet printer SEIKO EPSON CORPORATION (JP) 1998-04-29 EP disclosed
US-4603339-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1986-07-29 US disclosed