SCHEMBL3979681

SCHEMBL3979681

C=CC[CH]CC([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
SCHEMBL2641442 0.78
SCHEMBL11763934 0.76
SCHEMBL49785 0.76
Methane SCHEMBL27537896 0.73
Bicarbonate SCHEMBL4345305 0.72
SCHEMBL8971221 0.67 MGAM (0.44)
SCHEMBL148792 0.67
SCHEMBL28496359 0.67 TSHR (0.50)
SCHEMBL9300899 0.67
SCHEMBL28277572 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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