SCHEMBL31498535

SCHEMBL31498535

CCCc1ccccc1.CCCc1ccccc1.[Ni]

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TAAR1 Q96RJ0 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 1/20 0.50
HTR2A P28223 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
ATM Q13315 1/20 0.50
AOC3 Q16853 2/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48

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
Benzene SCHEMBL3223041 0.97 TP53 (0.58) TP53ALDH1A1HPGDALOX15ALOX12
Benzene SCHEMBL28308118 0.97 TP53 (0.58) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL11594885 0.97 TP53 (0.58) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL40575 0.97
Iodide SCHEMBL10910035 0.94 TP53 (0.55) TP53ALDH1A1HPGDALOX15ALOX12
Bromide SCHEMBL7216374 0.94 TP53 (0.55) TP53ALDH1A1HPGDALOX15ALOX12
Hydrochloric Acid SCHEMBL5792976 0.94 TP53 (0.55) TP53ALDH1A1HPGDALOX15ALOX12
Ammonia Solution, Strong SCHEMBL479482 0.94 TP53 (0.55) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL9420959 0.94 TP53 (0.55) TP53ALDH1A1HPGDALOX15ALOX12
Ethane SCHEMBL28813134 0.94 TP53 (0.55) TP53ALDH1A1HPGDALOX15ALOX12

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