SCHEMBL6051815

SCHEMBL6051815

ONc1cc(F)c(F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL1556479 0.76
SCHEMBL998478 0.74 CA1 (0.36) CA1CA2
SCHEMBL28864017 0.74 CES2 (0.30) CES2CES1
SCHEMBL9592170 0.74
Bromide SCHEMBL20984788 0.72 CA1 (0.35) CA1CA2
SCHEMBL20560275 0.70 CES2 (0.37) CES2CES1CA1CA2CA4
SCHEMBL20560734 0.70 EPHX2 (0.34) POLBHTTSMN1; SMN2TAS1R3TAS1R1
SCHEMBL20984319 0.70 GAA (0.40) CES2CES1CA1CA2CA4
SCHEMBL9674482 0.70 HDAC1 (0.50) CES2CES1CA1CA2NPC1
SCHEMBL7702552 0.69 CA1 (0.43) CES2CES1CA1CA2CA4

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-1674484-A2 Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid componds Aventis Pharmaceuticals Products Inc. (US) 2006-06-28 EP claimed
EP-0946478-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARM PROD INC (US) 2004-09-08 EP claimed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP claimed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO claimed
EP-1674484-A2 Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid componds Aventis Pharmaceuticals Products Inc. (US) 2006-06-28 EP disclosed
EP-0946478-A4 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARM PROD INC (US) 2004-09-08 EP disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 US disclosed
EP-0946478-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
WO-1998029376-A1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES, OXIMES, AMINES AND HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-07-09 WO disclosed