SCHEMBL6129169

SCHEMBL6129169

CCOCCOCC(C)(C)OCC

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.34
THRB P10828 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
SCHEMBL6129175 0.87 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL9626812 0.81 TSHR (0.39) TSHRTHRB
SCHEMBL720164 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTHRB
SCHEMBL1270481 0.77 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL14269136 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL28228952 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL26576418 0.74 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL28116711 0.73 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL9434593 0.73 TLR8 (0.33)
SCHEMBL10289657 0.72 ALDH1A1 (0.39) ALDH1A1TSHRTHRB

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
US-20050288430-A1 Polyurethane dispersions with high acid content BAYER POLYMERS LLC 2005-12-29 US disclosed
US-20050288431-A1 Polyurethane dispersion prepared from a high acid functional polyester BAYER MATERIALSCIENCE LLC 2005-12-29 US disclosed
EP-1609808-A2 Polyurethane dispersion prepared from a high acid functional polyester Bayer MaterialScience LLC (US) 2005-12-28 EP disclosed
EP-1609809-A1 Polyurethane dispersions with high acid content Bayer MaterialScience LLC (US) 2005-12-28 EP disclosed
EP-1607424-A1 A method of direct-to-metal coating Bayer MaterialScience LLC (US) 2005-12-21 EP disclosed
US-20050277732-A1 Two-component coating composition COVESTRO LLC 2005-12-15 US disclosed
US-20020165334-A1 Aqueous dispersions BAYER AKTIENGESELLSCHAFT (DE) 2002-11-07 US disclosed
US-5589535-A POLYISOCYANATES AND POLYOLS FOR RESINS HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-31 US disclosed
US-5576397-A PAINT BINDER HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-19 US disclosed