SCHEMBL1007132

SCHEMBL1007132

C=CCNC(C)(O)O

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
Hydrochloric Acid SCHEMBL29191276 0.97
Hydrochloric Acid SCHEMBL2052435 0.81
SCHEMBL4263479 0.77
SCHEMBL7105417 0.77
SCHEMBL31088682 0.77 ALDH1A1 (0.31)
SCHEMBL1234538 0.77
Isopropyl Alcohol SCHEMBL10358892 0.75 HTT (0.32)
Hydrochloric Acid SCHEMBL4259392 0.75
Hydrochloric Acid SCHEMBL4561506 0.74
Bromide SCHEMBL5682881 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922874-A Process for preparing N-aryl-N'-alkyl-piperazines BAYER ATKIENGESELLSCHAFT (DE) 1999-07-13 US claimed
EP-0895993-A1 Process for the preparation of N-aryl-N'aklyl-piperazines BAYER AG (DE) 1999-02-10 EP claimed
JP-3261710-A None JP disclosed
JP-11116560-A None JP disclosed
EP-2256175-B1 VISCOELASTIC CATIONIC CARBOHYDRATE ETHER COMPOSITIONS STEPAN CO (US) 2017-01-18 EP disclosed
EP-2325278-B1 Polycationic viscoelastic compositions STEPAN CO (US) 2015-09-09 EP disclosed
EP-1951840-B1 VISCOELASTIC CATIONIC CARBOHYDRATE ETHER COMPOSITIONS STEPAN CO (US) 2013-08-28 EP disclosed
US-8222455-B2 Polycationic viscoelastic compositions STEPAN COMPANY (US) 2012-07-17 US disclosed
EP-1945734-B1 POLYCATIONIC VISCOELASTIC COMPOSITIONS STEPAN CO (US) 2011-08-17 EP disclosed
US-20110190530-A1 Polycationic Viscoelastic Compositions KNOX PAUL 2011-08-04 US disclosed
EP-2325278-A1 Polycationic viscoelastic compositions STEPAN COMPANY (US) 2011-05-25 EP disclosed
US-5922874-A Process for preparing N-aryl-N'-alkyl-piperazines BAYER ATKIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
JP-H11116560-A PRODUCTION OF N-ARYL-N'-ALKYL-PIPERAZINE BAYER AG 1999-04-27 JP disclosed
EP-0895993-A1 Process for the preparation of N-aryl-N'aklyl-piperazines BAYER AG (DE) 1999-02-10 EP disclosed
EP-0895993-A1 Process for the preparation of N-aryl-N'aklyl-piperazines BAYER AG (DE) 1999-02-10 EP disclosed
EP-0882784-A1 SURFACTANT COMPOSITION Kao Corporation (JP) 1998-12-09 EP disclosed
US-5186720-A Flow control agents for middle oil distillates and crude oils; diesel fuels; motor oils HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
US-5156836-A AMINE OXIDE AND ANINIC SURFACTANT SHISEIDO COMPANY LTD. (JP) 1992-10-20 US disclosed
JP-H03261710-A HAIR TONIC SHISEIDO CO LTD 1991-11-21 JP disclosed
EP-0438385-A1 Procedure and additive for preventing clogging of a handling process of dry cellulose-containing material OY ALKO AB (FI) 1991-07-24 EP disclosed