SCHEMBL901106

SCHEMBL901106

[CH2]c1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 5/20 0.46
▸ PDE2A O00408 1/20 0.41
▸ KIF11 P52732 2/20 0.40
▸ FFAR4 Q5NUL3 3/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL900909 0.83 GPR3 (0.46) GPR3PDE2AKIF11FFAR4FFAR1
SCHEMBL2043198 0.79 GPR3 (0.46) GPR3PDE2AKIF11CES1NPC1
SCHEMBL16957872 0.78 GPR3 (0.44) GPR3PDE2AKIF11CES1NPC1
SCHEMBL16952162 0.78 GPR3 (0.44) GPR3PDE2AKIF11CES1NPC1
SCHEMBL16957287 0.78 GPR3 (0.44) GPR3KIF11FFAR4FFAR1CES1
SCHEMBL16956587 0.78 GPR3 (0.45) GPR3PDE2AKIF11FFAR4CES1
SCHEMBL24746424 0.75 GPR3 (0.46) GPR3PDE2AKIF11FFAR4FFAR1
SCHEMBL12269200 0.75 GPR3 (0.46) GPR3PDE2AKIF11FFAR4FFAR1
SCHEMBL5024677 0.75 GPR3 (0.46) GPR3PDE2AKIF11FFAR4FFAR1
SCHEMBL15959092 0.75 CA3 (0.46) GPR3PDE2AKIF11FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP claimed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP claimed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 — — EP disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 — — EP disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 — — WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
EP-2621922-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2013-08-07 — — EP disclosed
WO-2012041858-A1 A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS BASF SE (DE) 2012-04-05 — — WO disclosed
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