SCHEMBL6545455

SCHEMBL6545455

C=CCc1nccn1C.C=CCc1nccn1C.C=CCc1nccn1C.C=CCc1nccn1C.C=CCc1nccn1C.C=CCc1nccn1C.C=CCc1nccn1C.C=CCc1nccn1C.OB(O)F.OB(O)F.OB(O)F.OB(O)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LPO P22079 1/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.33
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
MLYCD O95822 1/20 0.30

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
Hydrochloric Acid SCHEMBL5446819 0.91 MEN1 (0.41) FDPSMEN1KMT2ALPOTSHR
SCHEMBL173394 0.89
Bromide SCHEMBL27924357 0.88 MEN1 (0.41) FDPSMEN1KMT2ALPOTSHR
SCHEMBL28819414 0.86 MEN1 (0.39) FDPSMEN1KMT2ALPOTSHR
SCHEMBL30630914 0.86 MEN1 (0.39) FDPSMEN1KMT2ALPOTSHR
SCHEMBL28233637 0.86 MEN1 (0.39) FDPSMEN1KMT2ALPOTSHR
Isopropyl Alcohol SCHEMBL29019954 0.85 FDPS (0.41) FDPSMEN1KMT2ALPOTSHR
Sulfuric Acid SCHEMBL27895211 0.83 FDPS (0.43) FDPSMEN1KMT2ALPOTSHR
Acetic Acid SCHEMBL457852 0.83 FDPS (0.43) FDPSMEN1KMT2ALPOTSHR
Trifluoroacetic Acid SCHEMBL27888775 0.81 FDPS (0.42) FDPSMEN1KMT2AFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372807-B1 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AG (DE) 2004-10-13 EP disclosed
EP-1372807-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2002074718-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed