SCHEMBL7245994

SCHEMBL7245994

C=CC(=O)OC(C)(C)[C@]12CCCC[C@@]1(O)CCCC2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL7245993 1.00 TSHR (0.31) TSHR
SCHEMBL27489359 0.83
SCHEMBL7249579 0.83
SCHEMBL7248110 0.78 TSHR (0.31) TSHR
SCHEMBL7248105 0.78 TSHR (0.31) TSHR
SCHEMBL7250035 0.73 ALDH1A1 (0.33) TSHR
SCHEMBL7250037 0.73 ALDH1A1 (0.33) TSHR
SCHEMBL7252792 0.73 TSHR (0.30) TSHR
SCHEMBL7252795 0.73 TSHR (0.30) TSHR
SCHEMBL14363830 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1211333-C Alicyclic compounds containing hydroxymethyl group, process for producing the same, and polymerizable alicyclic compound DAICCL CHEMICAL IND LTD (JP) 2005-07-20 CN disclosed
US-6576787-B1 Hydroxymethyl-group-containing alicyclic compound and process for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-10 US disclosed
CN-1293649-A Hydroxymethyl-containing alicyclic compound, process for producing the same, and polymerizable alicyclic compound OAICAL CHEMIAL IND LTD (JP) 2001-05-02 CN disclosed
EP-1070699-A1 ALICYCLIC COMPOUNDS CONTAINING HYDROXYMETHYL GROUP, PROCESS FOR PRODUCING THE SAME, AND POLYMERIZABLE ALICYCLIC COMPOUND Daicel Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed