SCHEMBL17877994

SCHEMBL17877994

CC(C)OP(=O)(OCC#CCOP(=O)(OC(C)C)OC(C)C)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL17878008 0.85 ACHE (0.36) CTSAACHE
SCHEMBL11327509 0.82 ACHE (0.46) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL3902813 0.82 CTSA (0.41) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL11274810 0.77 ACHE (0.46) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL10787734 0.77 CTSA (0.43) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL3819715 0.75 TSHR (0.60) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL29729166 0.73 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL22234352 0.73 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL28237157 0.73 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB
SCHEMBL27906591 0.73 CTSA (0.40) CTSAACHEALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160190644-A1 RECHARGEABLE LITHIUM BATTERY SAMSUNG SDI CO., LTD. (KR) 2016-06-30 US disclosed
US-20160190644-A1 RECHARGEABLE LITHIUM BATTERY SAMSUNG SDI CO., LTD. (KR) 2016-06-30 US disclosed