SCHEMBL5162640

SCHEMBL5162640

[NH]C1CCCCCCCCCCCCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
HIF1A Q16665 1/20 0.30
NOS2 P35228 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
SCHEMBL50157 1.00
SCHEMBL3027158 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL1442122 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL5162851 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3028721 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL25819 1.00
SCHEMBL3025889 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL130984 1.00
SCHEMBL3030542 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL3029726 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 WO claimed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 EP claimed
EP-1019388-B1 PREPARATION OF PERYLENE-3,4-DICARBOXYLIC ANHYDRIDES CIBA SC HOLDING AG (CH) 2007-03-14 EP disclosed
EP-0896964-B1 Perylenehydrazideimides as carbonyl derivatizing agents CIBA SC HOLDING AG (CH) 2006-03-08 EP disclosed
EP-0966468-B1 CROWN ETHER-DERIVATISED PERYLENES CIBA SC HOLDING AG (CH) 2004-09-22 EP disclosed
EP-0960167-B1 BIFLUOROPHORIC PERYLENE COLOURANTS CIBA SC HOLDING AG (CH) 2002-08-14 EP disclosed
EP-0900255-B1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SC HOLDING AG (CH) 2001-12-19 EP disclosed
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 WO disclosed
US-6166210-A Perylene imide monocarboxylic acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-26 US disclosed
US-6156914-A Donor-substituted oxindigo derivatives and their use as colorants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-12-05 US disclosed
EP-1053228-A1 PERYLENE IMIDE MONOCARBOXYLIC ACIDS AS COLORANTS Ciba SC Holding AG (CH) 2000-11-22 EP disclosed
WO-1998031678-A1 PREPARATION OF PERYLENE-3,4-DICARBOXYLIC ANHYDRIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-07-23 WO disclosed
WO-1997041176-A1 DONOR-SUBSTITUTED OXINDIGO DERIVATIVES AND THEIR USE AS COLOURANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-06 WO disclosed
US-5354869-A Fluorescent dyes RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
US-5266700-A Bipyridyls and their use as inks RIEDEL-DE-HAEN (DE) 1993-11-30 US disclosed
EP-0479843-A1 BIPYRIDYLES, PROCESS FOR MAKING THEM AND THEIR USE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1992-04-15 EP disclosed
EP-0446748-A2 Use of perylenedyes for the preparation of write, print or copying materials RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
EP-0426717-A1 OPTICAL MEMORY. RIEDEL DE HAEN AG (DE) 1991-05-15 EP disclosed
WO-1991000276-A1 BIPYRIDYLES, PROCESS FOR MAKING THEM AND THEIR USE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-01-10 WO disclosed
WO-1990001480-A1 OPTICAL MEMORY RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1990-02-22 WO disclosed