SCHEMBL31498538

SCHEMBL31498538

CCc1cccc(CC)c1CC.CCc1cccc(CC)c1CC.[Ni]

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.55
GABRB2 P47870 4/20 0.55
TAAR1 Q96RJ0 2/20 0.44
HTR1A P08908 1/20 0.44
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
MGLL Q99685 1/20 0.38
PDK2 Q15119 1/20 0.38
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 1/20 0.35
CACNA1C Q13936 1/20 0.35
DHFR P00374 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL245773 0.97 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AKCNH2
Ammonia Solution, Strong SCHEMBL27320869 0.94 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methane SCHEMBL28776675 0.94 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL27545014 0.94 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Hydrochloric Acid SCHEMBL4018938 0.92 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL28042791 0.92 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL9000240 0.92 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL27519069 0.92 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
Formaldehyde SCHEMBL27525573 0.92 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL27787743 0.92 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096474-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. (US) 2025-05-08 WO claimed
WO-2025096472-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. (US) 2025-05-08 WO claimed
US-20250136630-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. 2025-05-01 US claimed
US-20250136631-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. 2025-05-01 US claimed
WO-2025096474-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. (US) 2025-05-08 WO disclosed
WO-2025096472-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. (US) 2025-05-08 WO disclosed
US-20250136631-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. 2025-05-01 US disclosed
US-20250136630-A1 METHODS FOR PURIFYING BIS (ARENE) NICKEL COMPLEXES AND RELATED PRODUCTS ENTEGRIS, INC. 2025-05-01 US disclosed