SCHEMBL5945136

SCHEMBL5945136

CCCCCCCCCCCCC1(CBr)COC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL11428951 0.91 ALDH1A1 (0.31) TSHR
SCHEMBL11727987 0.87 TSHR (0.40) TSHRTHRB
SCHEMBL5945176 0.83 TSHR (0.36) TSHRTHRB
SCHEMBL2899698 0.83 TSHR (0.36) TSHRTHRB
SCHEMBL27651602 0.83 TSHR (0.36) TSHRTHRB
SCHEMBL5945152 0.82
SCHEMBL9999632 0.80 EPHX1 (0.32) TSHRTHRB
SCHEMBL1714681 0.79 EPHX1 (0.43) TSHR
SCHEMBL9839764 0.79 EPHX1 (0.43) TSHR
SCHEMBL5945184 0.79 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014918-A1 COMPOSITIONS FOR USE IN GOLF BALLS ACUSHNET COMPANY (US) 2006-01-19 US disclosed
EP-0000722-B1 PROCESS FOR THE PREPARATION OF POLYURETHANES CONTAINING ARYLSULFONIC ACID ALKYL ESTER GROUPS BAYER AG (DE) 1982-09-29 EP disclosed
US-4237250-A Polyurethanes containing aryl sulfonic acid alkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4211850-A Polyhydroxy compounds containing urethane aryl sulfonic acid hydroxyalkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-07-08 US disclosed
US-4201852-A Polyurethanes based on modified polyisocyanates containing sulphonic acid ester groups and process for the production thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
EP-0000723-A1 Polyhydroxy compounds containing urethane-aryl-sulfonic acid-hydroxyalkyl ester groups, process for their preparation and their use as reaction components for the preparation of polyurethane resins BAYER AG (DE) 1979-02-21 EP disclosed