SCHEMBL6680925

SCHEMBL6680925

C=C(C)C(C)(C)C.C=CCCC

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL6060980 0.84 TSHR (0.75) TSHRALDH1A1TP53
SCHEMBL5212660 0.84
Hydrochloric Acid SCHEMBL27297650 0.81
Hydrochloric Acid SCHEMBL11566989 0.81 TSHR (0.92) TSHRALDH1A1
Hydrochloric Acid SCHEMBL29238196 0.81
SCHEMBL1883305 0.79 TSHR (0.67) TSHRALDH1A1TP53
Methyl Alcohol SCHEMBL8944947 0.78
Hydrochloric Acid SCHEMBL11599064 0.78
SCHEMBL1871536 0.78 TSHR (1.00) TSHRALDH1A1
SCHEMBL8468547 0.78 TSHR (1.00) TSHRALDH1A1

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
EP-1029024-B1 MULTIPLE STAGE SULFUR REMOVAL PROCESS BP CORP NORTH AMERICA INC (US) 2004-11-24 EP disclosed