SCHEMBL4282152

SCHEMBL4282152

N#CC(=[V])C(C#N)(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL11512496 0.60 TDP1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL2233991 0.58 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL9296259 0.58 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL9705350 0.57 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL23253989 0.55 TDP1 (0.47) TDP1
Ethylene SCHEMBL10004443 0.55 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL8498930 0.55 TDP1 (0.32) TDP1
SCHEMBL30069203 0.53
SCHEMBL285538 0.53
SCHEMBL30697239 0.53

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
WO-2009152434-A2 METHOD AND APPARATUS FOR MEASURING MAGNETIC FIELDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-12-17 WO claimed
WO-2009152434-A2 METHOD AND APPARATUS FOR MEASURING MAGNETIC FIELDS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-12-17 WO disclosed