SCHEMBL8098156

SCHEMBL8098156

C1=CC2C3C=CC(C3)C2C1.C=C/C=C/C.C=C/C=C/C.C=CCCC

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 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
SCHEMBL8967424 0.79 ALDH1A1 (0.58) ALDH1A1
Ethylene SCHEMBL3818650 0.78 ALDH1A1 (0.66) ALDH1A1
Propene SCHEMBL8469070 0.78 ALDH1A1 (0.76) ALDH1A1
SCHEMBL8158655 0.77 ALDH1A1 (0.59) ALDH1A1
SCHEMBL8158653 0.77 ALDH1A1 (0.59) ALDH1A1
SCHEMBL10548944 0.77 ALDH1A1 (0.54) ALDH1A1
SCHEMBL10548937 0.77 ALDH1A1 (0.54) ALDH1A1
Propene SCHEMBL1274972 0.76 ALDH1A1 (0.73) ALDH1A1
Butane SCHEMBL5600241 0.76 ALDH1A1 (0.79) ALDH1A1
Butadiene SCHEMBL10480207 0.76 ALDH1A1 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062038-A1 HYDROCARBON HYDROGENATION AND CATALYST THEREFOR Phillips Petroleum Company (US) 2000-12-27 EP disclosed
WO-1999046041-A1 HYDROCARBON HYDROGENATION AND CATALYST THEREFOR PHILLIPS PETROLEUM COMPANY (US) 1999-09-16 WO disclosed