SCHEMBL6765929

SCHEMBL6765929

CCC(C)(C)N(CC(C)O)CC(C)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 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
Ammonia Solution, Strong SCHEMBL21408700 0.98 TSHR (0.35) TSHRMAPK1
SCHEMBL24187465 0.86
SCHEMBL8745043 0.82 ALDH1A1 (0.31)
SCHEMBL14663278 0.80 ALDH1A1 (0.38) TSHRMAPK1TDP1
SCHEMBL20808596 0.80 ALDH1A1 (0.38) TSHRMAPK1TDP1
SCHEMBL24654747 0.79 ALDH1A1 (0.31) TSHRTDP1
SCHEMBL14660621 0.78 TSHR (0.35) TSHR
SCHEMBL14669263 0.76 KDM4E (0.32) TSHRMAPK1
SCHEMBL925732 0.76 MAPK1 (0.36) TSHRMAPK1TDP1
SCHEMBL5667665 0.75 ALDH1A1 (0.30)

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
EP-0199194-B1 ELASTAN YARNS, THEIR PREPARATION AND INTERMEDIARY PRODUCTS NEEDED THEREFOR BAYER AG (DE) 1991-03-13 EP claimed
US-4725636-A Elasthane threads, their production and intermediate products required therefor BAYER AKTIENGESELLSCHAFT (DE) 1988-02-16 US claimed
EP-0199194-A2 Elastan yarns, their preparation and intermediary products needed therefor BAYER AG (DE) 1986-10-29 EP claimed
US-20040150134-A1 Process for the production of polyurethane urea fibers by including a combination of polydimethylsiloxane, alkoxylated polydimethylsiloxane and a fatty acid salt in the spinning solution BAYER FASER GMBH (DE) 2004-08-05 US disclosed
US-6284371-B1 OPTICAL UNIFORMITY OF DYED KNITTED FABRICS PRODUCED WITH YARNS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-6123885-A Process for the production of elastane fibers by inclusion of a combination of PDMS and ethoxylated PDMS in the spinning solution BAYER AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed
EP-0269838-B1 ELASTHANE FIBRES STABILIZED AGAINST ENVIRONMENTAL INFLUENCES BAYER AG (DE) 1993-03-24 EP disclosed
EP-0137256-B2 COATING MASS, PROCESS FOR THE PREPARATION OF COATINGS AND COATED SUBSTRATE BASF Lacke + Farben AG (DE) 1992-11-04 EP disclosed
EP-0199194-B1 ELASTAN YARNS, THEIR PREPARATION AND INTERMEDIARY PRODUCTS NEEDED THEREFOR BAYER AG (DE) 1991-03-13 EP disclosed
US-4725636-A Elasthane threads, their production and intermediate products required therefor BAYER AKTIENGESELLSCHAFT (DE) 1988-02-16 US disclosed
EP-0199194-A2 Elastan yarns, their preparation and intermediary products needed therefor BAYER AG (DE) 1986-10-29 EP disclosed
US-4576868-A POLYURETHANE OR POLYUREA ELASTOMERS, POLYESTERS, ETHERIFIED AMINO RESINS BASF FARBEN & FASERN AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed
US-RE29623-E CHAIN EXTENDERS BAYER AKTIENGESELLSCHAFT (DT) 1978-05-02 US disclosed