SCHEMBL31498537

SCHEMBL31498537

CCc1ccccc1C.CCc1ccccc1C.[Ni]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
TSHR P16473 1/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 3/20 0.47
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
SHBG P04278 1/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CTBP2 P56545 1/20 0.44
CHRM2 P08172 1/20 0.43
MAPT P10636 1/20 0.42
MGLL Q99685 1/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29458957 0.97
SCHEMBL5489439 0.97 TAAR1 (0.54) TAAR1PTGS1PTGS2TSHRACHE
SCHEMBL40576 0.97
Iodide SCHEMBL28117637 0.94 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRACHE
Ammonia Solution, Strong SCHEMBL9453011 0.94 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRACHE
SCHEMBL27581098 0.94 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRACHE
SCHEMBL5157331 0.94 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRACHE
O-Xylene SCHEMBL9356149 0.94 TSHR (0.56) TAAR1PTGS1PTGS2TSHRACHE
Ammonia Solution, Strong SCHEMBL5005672 0.94 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRACHE
Methane SCHEMBL28281016 0.94 TAAR1 (0.52) TAAR1PTGS1PTGS2TSHRACHE

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