SCHEMBL2545831

SCHEMBL2545831

C#CC=CC(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
SCHEMBL2545830 1.00
SCHEMBL14547151 0.78
SCHEMBL14780549 0.78
SCHEMBL2375313 0.71
SCHEMBL27651481 0.71
SCHEMBL14793031 0.70
SCHEMBL29886820 0.69
SCHEMBL1931724 0.69
SCHEMBL1931727 0.69
SCHEMBL23783527 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556137-B2 Methods for preparing alkylfurans MICROMIDAS, INC. (US) 2017-01-31 US disclosed
EP-2970037-A1 METHODS FOR PREPARING ALKYLFURANS Micromidas, Inc. (US) 2016-01-20 EP disclosed
US-20150376153-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2015-12-31 US disclosed
WO-2014151100-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2014-09-25 WO disclosed
US-8324409-B2 Efficient method for preparing 2,5-dimethylfuran THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-12-04 US disclosed
US-20110263880-A1 EFFICIENT METHOD FOR PREPARING 2,5-DIMETHYLFURAN THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-10-27 US disclosed
US-20100068480-A1 Negative-working photosensitive resin composition and photosensitive resin plate using the same CITICORP NORTH AMERICA, INC., AS AGENT 2010-03-18 US disclosed
US-20090068413-A1 Negative-working photosensitive resin composition and photosensitive resin plate using the same TAKANASHI HIROSHI 2009-03-12 US disclosed
US-20060275702-A1 Negative-working photosensitive resin composition and photosensitive resin plate using the same TAKANASHI HIROSHI 2006-12-07 US disclosed
US-20060057495-A1 Negative-working photosensitive resin composition and photosensitive resin plate using the same TAKANASHI HIROSHI 2006-03-16 US disclosed
US-20010019811-A1 Negative-working photosensitive resin composition and photosensitive resin plate using the same TAKANASHI HIROSHI (JP) 2001-09-06 US disclosed
EP-0775111-B1 STABLE VITAMIN A PROCTER & GAMBLE (US) 2001-08-29 EP disclosed
US-5808120-A Method of synthesis of retinoic acid WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1998-09-15 US disclosed
US-5648091-A TOCOPHEROL THE PROCTOR & GAMBLE COMPANY (US) 1997-07-15 US disclosed
US-5426248-A Purified vitamin A which has been deodorized and degassed by controlled vacuum heating in absence of light and sparging with inert gas, for foods THE PROCTER & GAMBLE COMPANY (US) 1995-06-20 US disclosed
US-4230878-A AND 4-(UNSATURATED ALKYL)AMINOBENZOIC ACIDS AND DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1980-10-28 US disclosed
US-3972942-A PALLADIUM CHLORIDE CATALYST, COPPER CHLORIDE, OXYGEN DIAMOND SHAMROCK CORPORATION (US) 1976-08-03 US disclosed
US-3947521-A PALLADIUM CHLORIDE CATALYST DIAMOND SHAMROCK CORPORATION (US) 1976-03-30 US disclosed