SCHEMBL8736384

SCHEMBL8736384

O=C(Cl)CCCCCC(Cl)(Cl)C(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 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
SCHEMBL15020977 0.82 TSHR (0.55) TSHRALDH1A1TP53
Carbon Tetrachloride SCHEMBL27858652 0.80 TSHR (0.62) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL11771263 0.77 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL11197126 0.77 ALDH1A1 (0.48) TSHRALDH1A1
Carbon Tetrachloride SCHEMBL29006010 0.77 TSHR (0.57) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL494288 0.77 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154041 0.77 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL494763 0.77 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL466419 0.77 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154814 0.77 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0461268-B1 PROCESS FOR PRODUCING OLEFIN POLYMERIZATION CATALYST AND POLYOLEFIN IDEMITSU PETROCHEMICAL CO (JP) 1998-05-27 EP disclosed
US-5556820-A REACTION PRODUCT OF MAGNESIUM, ALCOHOL AND HALOGEN, SOLID IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1996-09-17 US disclosed
EP-0461268-A1 PROCESS FOR PRODUCING OLEFIN POLYMERIZATION CATALYST COMPONENT AND POLYOLEFIN IDEMITSU PETROCHEMICAL CO. LTD. (JP) 1991-12-18 EP disclosed