SCHEMBL9065496

SCHEMBL9065496

CCC(CC)(CCl)OC(=O)CC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.31
SRR Q9GZT4 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
SCHEMBL9065489 0.90 MGAM (0.37)
SCHEMBL2967817 0.87 LDHA (0.36) LDHASRR
SCHEMBL2957096 0.80 FFAR3 (0.31) LDHASRR
SCHEMBL2710907 0.76 LDHA (0.38) LDHASRR
SCHEMBL11703210 0.76 AKR1B1 (0.38)
SCHEMBL18556467 0.76 ALDH1A1 (0.30)
SCHEMBL2967813 0.75 GAA (0.43)
SCHEMBL4938475 0.75 LDHA (0.33) LDHASRR
SCHEMBL5733217 0.73
SCHEMBL3929483 0.72 CYP2D6 (0.35) LDHASRR

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-5569780-A Dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed
US-5463111-A Process for preparing dialkyl 2-haloethyl malonates HULS AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed