SCHEMBL15540728

SCHEMBL15540728

C=C(C)C.CC(C)COS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4667979 0.91
Ammonia Solution, Strong SCHEMBL28380029 0.88 TSHR (0.38) TSHRCA1CA2CA9ALDH1A1
Acrylamide SCHEMBL28749840 0.78 TSHR (0.50) TSHRCA1CA2CA9ALDH1A1
Ether SCHEMBL4920589 0.77 TSHR (0.32) TSHRALDH1A1
Ether SCHEMBL4921254 0.77 TSHR (0.32) TSHRALDH1A1
Ether SCHEMBL4921594 0.77 TSHR (0.32) TSHRALDH1A1
Ether SCHEMBL4924520 0.77 TSHR (0.32) TSHRALDH1A1
Ether SCHEMBL4915319 0.77 TSHR (0.32) TSHRALDH1A1
Ether SCHEMBL4919671 0.77 TSHR (0.32) TSHRALDH1A1
SCHEMBL9651396 0.75 CA2 (0.56) TSHRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867365-A1 PROCESS FOR PRODUCING A C2-C10 MONOALKENE EMPLOYING A TERPENE SYNTHASE OR A PRENYL TRANSFERASE Scientist of Fortune S.A. (LU) 2015-05-06 EP disclosed
WO-2014001517-A1 PROCESS FOR PRODUCING A C2-C10 MONOALKENE EMPLOYING A TERPENE SYNTHASE OR A PRENYL TRANSFERASE SCIENTIST OF FORTUNE S.A. (LU) 2014-01-03 WO disclosed