SCHEMBL3327732

SCHEMBL3327732

C=CS(=O)(=O)[N]C(=O)CCC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
FFAR3 O14843 3/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL6310833 0.73 CES2 (0.39) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL7649573 0.73 CES2 (0.39) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL4592421 0.73 CES2 (0.39) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL7991031 0.70 CES2 (0.36) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL3327988 0.67 TSHR (0.36) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL3992858 0.64
SCHEMBL17083521 0.64
SCHEMBL8951785 0.64
SCHEMBL626129 0.63 CES2 (0.50) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL27708040 0.62 HDAC3 (0.43) CES2CES1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100132135-A1 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-06-03 US claimed
EP-1902100-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2008-03-26 EP claimed
WO-2007006653-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (DE) 2007-01-18 WO claimed
CN-101218306-B Reactive dyes, a process for their preparation and their use HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2011-12-21 CN disclosed
US-20100132135-A1 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-06-03 US disclosed
US-20100132135-A1 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN INTERNATIONAL LLC (US) 2010-06-03 US disclosed
CN-101218306-A Reactive dyes, a process for their preparation and their use HUNTSMAN ADV MAT SWITZERLAND (CH) 2008-07-09 CN disclosed
EP-1902100-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2008-03-26 EP disclosed
EP-1902100-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2008-03-26 EP disclosed
WO-2007006653-A3 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-09-07 WO disclosed
WO-2007006653-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (DE) 2007-01-18 WO disclosed
WO-2007006653-A2 REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (DE) 2007-01-18 WO disclosed
US-4801694-A Triazinyl reactive dyestuffs in which triazinyl group is further substituted with a beta-chloroethylsulfonyl- or vinylsulfonylbutyrylamino moiety CIBA-GEIGY CORPORATION (US) 1989-01-31 US disclosed