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 — —
SCHEMBL540360 0.79 ALDH1A1 (0.36) —
SCHEMBL22793359 0.79 ALDH1A1 (0.40) —
SCHEMBL2338941 0.79 CHRNB2 (0.40) —
SCHEMBL6657579 0.78 CHRNB2 (0.66) —
SCHEMBL160033 0.77 — —
SCHEMBL6721825 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
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