SCHEMBL9737988

SCHEMBL9737988

CCCCC(C)C(CC#N)C(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38

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
SCHEMBL27889472 0.73
SCHEMBL7154822 0.71
SCHEMBL4202851 0.70
SCHEMBL4202857 0.70
Pentane SCHEMBL8736679 0.67 TSHR (0.41) TSHR
SCHEMBL27648154 0.67
SCHEMBL20368987 0.66 TSHR (0.48) TSHR
SCHEMBL24768266 0.65 TSHR (0.54) TSHR
SCHEMBL22345156 0.65 DNM1 (0.47) TSHR
SCHEMBL29531465 0.65 DNM1 (0.47) TSHR

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-1992013862-A1 LACTONE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-20 WO disclosed