SCHEMBL31498554

SCHEMBL31498554

Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.[Ni]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
CYP2A6 P11509 3/20 0.47
CYP1A2 P05177 3/20 0.47
RAPGEF4 Q8WZA2 3/20 0.46
ACHE P22303 3/20 0.44
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL60541 0.97
SCHEMBL1135726 0.97 TDP1 (0.55) TDP1ALDH1A1TP53CYP2A6CYP1A2
SCHEMBL29365203 0.97
SCHEMBL19744496 0.97 TDP1 (0.55) TDP1ALDH1A1TP53CYP2A6CYP1A2
Methane SCHEMBL28558734 0.93 TDP1 (0.52) TDP1ALDH1A1TP53CYP2A6CYP1A2
SCHEMBL5178966 0.93 TDP1 (0.52) TDP1ALDH1A1TP53CYP2A6CYP1A2
Water SCHEMBL5175477 0.93 TDP1 (0.52) TDP1ALDH1A1TP53CYP2A6CYP1A2
SCHEMBL1513165 0.93 TDP1 (0.52) TDP1ALDH1A1TP53CYP2A6CYP1A2
SCHEMBL8117972 0.93 TDP1 (0.52) TDP1ALDH1A1TP53CYP2A6CYP1A2
Water SCHEMBL27916629 0.93 TDP1 (0.52) TDP1ALDH1A1TP53CYP2A6CYP1A2

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