SCHEMBL8332502

SCHEMBL8332502

CCC(C#N)CC#N.N#CCC#N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL214487 0.92
SCHEMBL14546289 0.92
SCHEMBL22613723 0.80 TSHR (0.32) TSHRALDH1A1
SCHEMBL819217 0.80 TSHR (0.37) TSHRALDH1A1
SCHEMBL533350 0.74
SCHEMBL68459 0.74
SCHEMBL8527432 0.74
SCHEMBL30440232 0.72
SCHEMBL30007313 0.72
SCHEMBL25947717 0.72

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
US-5981790-A USING HYDROGEN IN THE PRESENCE OF A CATALYST, A STRONG INORGANIC BASE AND WATER; CATALYST SELECTIVITY RHONE-POULENC FIBER AND RESIN INTERMEDIATES (FR) 1999-11-09 US disclosed