SCHEMBL14839286

SCHEMBL14839286

O=C(Cl)CCCCC(=O)I

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.50
LMNA P02545 2/20 0.33
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL4949941 0.84 LMNA (0.44) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL132364 0.84 TSHR (0.67) TSHRALDH1A1TP53LMNANFKB1
Hydrochloric Acid SCHEMBL7947881 0.81 TSHR (0.63) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL495310 0.81 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154814 0.81 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL2154041 0.81 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL496221 0.81 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL7329781 0.81 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL466419 0.81 TSHR (0.72) TSHRALDH1A1TP53LMNANFKB1
SCHEMBL494288 0.81 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013048764-A1 METHOD FOR PREPARING HIGH PURITY MONO-HYDROLYZED ACYL HALIDE COMPOUND DOW GLOBAL TECHNOLOGIES LLC (US) 2013-04-04 WO disclosed