SCHEMBL9853799

SCHEMBL9853799

C=C(CC)CC.C=CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 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
SCHEMBL139642 0.77
SCHEMBL27279650 0.74 ALDH1A1 (0.44) ALDH1A1TSHRALOX15
Ammonia Solution, Strong SCHEMBL1694485 0.73
Ammonia Solution, Strong SCHEMBL2319672 0.73
Water SCHEMBL28328300 0.73
SCHEMBL10531495 0.73 ALDH1A1 (0.62) ALDH1A1TSHR
SCHEMBL42320 0.73
SCHEMBL2059977 0.73
Ethylene Glycol SCHEMBL11417061 0.71 TSHR (0.36) TSHRALOX15
SCHEMBL9853801 0.71 GMNN (0.30)

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-0426073-A2 Solid feeding of silane crosslinking agents into extruder UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-05-08 EP claimed