SCHEMBL3690933

SCHEMBL3690933

CC(CC(C)(C)C)CP(=O)(O)CC(C)CC(C)(C)C.CCCCC(P)(CCCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 12/20 0.36
SMPD1 P17405 5/20 0.33
GGPS1 O95749 7/20 0.33
LPAR1 Q92633 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31

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
Heptane SCHEMBL28418481 0.85 FDPS (0.41) FDPSSMPD1GGPS1LPAR3
SCHEMBL6545055 0.81 FDPS (0.36) FDPSSMPD1GGPS1LPAR3
SCHEMBL186893 0.81 FDPS (0.35) FDPS
SCHEMBL305947 0.79 FDPS (0.42) FDPSSMPD1GGPS1LPAR1LPAR3
Hydrochloric Acid SCHEMBL1292886 0.79 FDPS (0.34) FDPS
Phosphine SCHEMBL4535977 0.79 FDPS (0.34) FDPS
SCHEMBL8021634 0.79 FDPS (0.34) FDPS
Ammonia Solution, Strong SCHEMBL17199776 0.79 FDPS (0.34) FDPS
SCHEMBL29913548 0.79 GGPS1 (0.38) FDPSSMPD1GGPS1LPAR1LPAR3
SCHEMBL18824362 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305263-A1 CROSS-LINKABLE MASSES COMPRISING PHOSPHORUS COMPOUNDS WACKER CHEMIE AG (DE) 2010-12-02 US disclosed