SCHEMBL3920127

SCHEMBL3920127

CC(C)CC=CC(N)=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
SCHEMBL16134038 1.00
SCHEMBL18294833 1.00
SCHEMBL5983404 0.83
SCHEMBL22793359 0.79 ALDH1A1 (0.40)
SCHEMBL540360 0.79 ALDH1A1 (0.36)
SCHEMBL2338941 0.79 CHRNB2 (0.40)
SCHEMBL6657579 0.78 CHRNB2 (0.66)
SCHEMBL6721823 0.77
SCHEMBL1734717 0.77
SCHEMBL12973059 0.77

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246940-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-07-25 US claimed
US-8349982-B2 Macromonomers and hydrogels WILLIAM MARSH RICE UNIVERSITY (US) 2013-01-08 US claimed
US-20090111928-A1 Novel Macromonomers and Hydrogels NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-30 US claimed
WO-2007127785-A2 NOVEL INJECTABLE MACROMONOMERS FOR THE FABRICATION OF HYDROGELS WILLIAM MARSH RICE UNIVERSITY (US) 2007-11-08 WO claimed
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 US disclosed
US-8367777-B2 Blocks having different glass transition temperatures, at least one of which having a glass transition temperature of less than or equal to 20 degrees C. L'OREAL (FR) 2013-02-05 US disclosed
US-8349982-B2 Macromonomers and hydrogels WILLIAM MARSH RICE UNIVERSITY (US) 2013-01-08 US disclosed
US-20090111928-A1 Novel Macromonomers and Hydrogels NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-30 US disclosed
WO-2007127785-A2 NOVEL INJECTABLE MACROMONOMERS FOR THE FABRICATION OF HYDROGELS WILLIAM MARSH RICE UNIVERSITY (US) 2007-11-08 WO disclosed
US-20030124074-A1 Adhesive block ethylenic copolymers, cosmetic compositions containing them and cosmetic use of these copolymers L'OREAL (FR) 2003-07-03 US disclosed