SCHEMBL31049802

SCHEMBL31049802

Fc1cccc(C(Cl)(Cl)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.50
TSHR P16473 2/20 0.48
ACHE P22303 1/20 0.42
KIF11 P52732 1/20 0.42
CYP19A1 P11511 2/20 0.41
NFE2L2 Q16236 3/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
THPO P40225 1/20 0.37
NPC1 O15118 1/20 0.37
CHRM5 P08912 1/20 0.37
GRM5 P41594 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL7062766 1.00 KCNN4 (0.50) KCNN4TSHRACHEKIF11CYP19A1
SCHEMBL4465184 0.85 KCNN4 (0.50) KCNN4TSHRACHEKIF11CYP19A1
SCHEMBL1847239 0.81 TSHR (0.61) KCNN4TSHRCES2CYP1A2CYP3A4
SCHEMBL11867089 0.79 KCNN4 (0.50) KCNN4TSHRACHEKIF11CYP19A1
Chloromethane SCHEMBL27654435 0.78 TSHR (0.52) KCNN4TSHRACHENFE2L2CES2
SCHEMBL11871260 0.78 KCNN4 (0.51) KCNN4ACHEKIF11CYP19A1NFE2L2
SCHEMBL27918654 0.78 KCNN4 (0.48) KCNN4ACHEKIF11CYP19A1NFE2L2
SCHEMBL1444004 0.78 KCNN4 (0.51) KCNN4ACHEKIF11CYP19A1NFE2L2
SCHEMBL168760 0.77 TSHR (0.56) KCNN4TSHRACHECES2MAPK1
SCHEMBL13623770 0.77 KCNN4 (0.52) KCNN4TSHRACHEKIF11CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743438-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2026-05-20 EP claimed
EP-4665705-A1 A PROCESSES FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE CORRESPONDING BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2025-12-24 EP claimed
WO-2025068995-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS AARTI INDUSTRIES LIMITED (IN) 2025-04-03 WO claimed
WO-2024171098-A1 A PROCESSES FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE CORRESPONDING BENZOTRICHLORIDE COMPOUNDS AARTI INDUSTRIES LIMITED (IN) 2024-08-22 WO claimed
EP-4743438-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS Aarti Industries Limited (IN) 2026-05-20 EP disclosed
WO-2025068995-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENZONITRILE COMPOUNDS FROM THE BENZOTRICHLORIDE COMPOUNDS AARTI INDUSTRIES LIMITED (IN) 2025-04-03 WO disclosed