SCHEMBL9626977

SCHEMBL9626977

CCS(=O)(=O)CCC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.46
TP53 P04637 1/20 0.46
APEX1 P27695 1/20 0.42
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.31

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
SCHEMBL10655492 0.78 ALDH1A1 (0.59) TSHRALDH1A1TP53
SCHEMBL5673517 0.77 APEX1 (0.46) TSHRALDH1A1TP53APEX1
SCHEMBL20223166 0.76 ALDH1A1 (0.47) ALDH1A1APEX1LMNAKMT2A
SCHEMBL10583528 0.76
SCHEMBL7131000 0.76 APEX1 (0.74) TSHRALDH1A1APEX1LMNAKMT2A
SCHEMBL11246621 0.74 APEX1 (0.42) APEX1LMNAKMT2A
Hydrochloric Acid SCHEMBL10583773 0.74 APEX1 (0.70) TSHRALDH1A1APEX1LMNAKMT2A
SCHEMBL4766619 0.74 LMNA (0.43) ALDH1A1TP53APEX1LMNAKMT2A
SCHEMBL11491949 0.72
SCHEMBL4815677 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321784-B1 FORMAZANE DYES CONTAINING HEAVY METALS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING FIBROUS MATERIALS BAYER AG (DE) 1992-03-18 EP disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed
US-4841030-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0158882-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1987-12-16 EP disclosed
EP-0125763-B1 MEDIUM FOR ELECTROPHORESIS FUJI PHOTO FILM CO., LTD. (JP) 1987-05-06 EP disclosed
US-4621138-A Triphendioxazine dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-11-04 US disclosed
EP-0097289-B1 AZO DYESTUFFS BAYER AG (DE) 1986-10-15 EP disclosed
EP-0108924-B1 HEAVY METAL-CONTAINING FORMAZANE DYESTUFFS, METHODS FOR THEIR PREPARATION AND THEIR USE IN THE DYEING AND PRINTING OF FIBRE MATERIALS BAYER AG (DE) 1986-07-02 EP disclosed
EP-0177978-A2 Naphthol amine derivatives BAYER AG (DE) 1986-04-16 EP disclosed
EP-0158882-A2 Triphenedioxazine dyes BAYER AG (DE) 1985-10-23 EP disclosed
EP-0001451-A1 Water-soluble azo-phthalocyanine fibre-reactive dyestuffs, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1979-04-18 EP disclosed
US-4126609-A AZO DYESTUFF WITH A FIBER-REACTIVE GROUP ATTACHED TO A NAPHTHALENE SULPHONIC ACID COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1978-11-21 US disclosed
US-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed