SCHEMBL9709477

SCHEMBL9709477

CC(=CCCl)CCCC(C)(Cl)CCCC(C)(Cl)CCCC(C)(C)Cl

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL9709475 1.00 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9017213 0.93 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9017154 0.93 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10730516 0.89 PTPN1 (0.41)
SCHEMBL10730519 0.89 PTPN1 (0.41)
SCHEMBL10680113 0.86 SQLE (0.42) ALDH1A1
SCHEMBL10680108 0.86 SQLE (0.42) ALDH1A1
SCHEMBL9709436 0.78 PTPN1 (0.54)
SCHEMBL9709440 0.78 PTPN1 (0.54)
SCHEMBL21894289 0.77 ALOX15 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4665244-A Chlorinated derivatives of hexadecene, their preparation and their use in the synthesis of vitamin E RHONE-POULENC SANTE (FR) 1987-05-12 US claimed
US-5175346-A Catalyst mixture of cuprous chloride and quaternary ammonium salt RHONE-POULENC SANTE (FR) 1992-12-29 US disclosed
US-4665244-A Chlorinated derivatives of hexadecene, their preparation and their use in the synthesis of vitamin E RHONE-POULENC SANTE (FR) 1987-05-12 US disclosed
US-4636570-A Tocopherol derivatives useful in the synthesis of vitamin E and their preparation RHONE-POULENC SANTE (FR) 1987-01-13 US disclosed