SCHEMBL31498545

SCHEMBL31498545

Cc1cc(C)c(C)cc1C.Cc1cc(C)c(C)cc1C.[Ni]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 2/20 0.53
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
ACHE P22303 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NQO2 P16083 1/20 0.35
NOS3 P29474 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
SCHEMBL39444 0.94 TSHR (0.57) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL8109982 0.94 TSHR (0.57) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL25403085 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL28708734 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
Water SCHEMBL27671823 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
Bromide SCHEMBL29020310 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL5180999 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL28508031 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL30336851 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL27832465 0.89 TSHR (0.53) TSHRCYP3A4MAPK1ALDH1A1KDM4E

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-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