SCHEMBL3264456

SCHEMBL3264456

C=CC(N)(C(C)O)C(C)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
SCHEMBL1020640 0.75
SCHEMBL1082877 0.71
SCHEMBL1248739 0.71
SCHEMBL21777085 0.69 ALDH1A1 (0.31)
SCHEMBL24307869 0.69
SCHEMBL16326321 0.67
SCHEMBL9347624 0.67
SCHEMBL16326322 0.67
SCHEMBL6995763 0.66
SCHEMBL9485834 0.65 CYP1A2 (0.36)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63000339-A None JP disclosed
WO-2016158331-A1 RESIN COMPOSITION AND ITS FILM SHOWA DENKO K.K. (JP) 2016-10-06 WO disclosed
US-20130116120-A1 ALKOXYLATED ALKYLAMINES/ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION AKZO NOBEL N.V. (NL) 2013-05-09 US disclosed
US-20100056376-A1 ALKOXYLATED ALKYLAMINES/ALKYL ETHER AMINES WITH PEAKED DISTRIBUTION MONSANTO TECHNOLOGY LLC (US) 2010-03-04 US disclosed
EP-0722974-B1 Expandable rubber-modified styrene resin beads, expanded beads thereof, and expanded molded articles obtained therefrom MITSUBISHI CHEMICAL BASF COMPA (JP) 1999-11-24 EP disclosed
EP-0712885-B1 Expandable ABS resin beads and process for producing the same MITSUBISHI CHEMICAL BASF COMPA (JP) 1999-06-09 EP disclosed
US-5837740-A CHEMICAL, HEAT RESISTANCE; TOUGHNESS MITSUBISHI CHEMICAL BASF COMPANY, LIMITED (JP) 1998-11-17 US disclosed
US-5661191-A EXPANDABLE BEADS MADE OF STYRENE RESIN HAVING DISPERSED THEREIN CONJUGATED DIENE RUBBER PARTICLES WITH SPECIFIED 1,4-CIS CONTENT AND PARTICLE SIZE, HAVING SPECIFIED MINERAL OIL CONTENT, CONTAINING VOLATILE BLOWING AGENT MITSUBISHI CHEMICAL BASF COMPANY LIMITED (JP) 1997-08-26 US disclosed
EP-0722974-A1 Expandable rubber-modified styrene resin beads, expanded beads thereof, and expanded molded articles obtained therefrom Mitsubishi Chemical BASF Company Limited (JP) 1996-07-24 EP disclosed
EP-0712885-A2 Expandable ABS resin beads and process for producing the same Mitsubishi Chemical BASF Company Limited (JP) 1996-05-22 EP disclosed
US-5498474-A TERTIARY ALIPHATIC HYDROXYALKYLAMINE ANTISTATIC AGENT; DESTACKABLE HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
US-5227450-A Improved heat stability, molded parts for automobiles AIR PRODUCTS AND CHEMICALS, INC. (US) 1993-07-13 US disclosed
JP-S63339-A ANTISTATIC RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO LTD 1988-01-05 JP disclosed