SCHEMBL21021701

SCHEMBL21021701

CCC(C)CC(CCl)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 3/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
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
SCHEMBL28398347 0.84 TSHR (0.41) KISS1RTSHRUSP2
SCHEMBL14564603 0.75 CA1 (0.44) KISS1RTSHRUSP2
SCHEMBL18776610 0.75 CA2 (0.50) KISS1RUSP2ALDH1A1
SCHEMBL28149631 0.74 SLC1A3 (0.39) TSHRUSP2
SCHEMBL1782275 0.72 PTPN1 (0.35) TSHRALDH1A1
SCHEMBL17953985 0.72 PTPN1 (0.35) TSHRALDH1A1
SCHEMBL9185725 0.71 SLC1A2 (0.43) KISS1RTSHR
SCHEMBL1716335 0.70 SLC1A3 (0.58) TSHRUSP2
SCHEMBL16280863 0.70 TSHR (0.36) KISS1RTSHRALDH1A1
SCHEMBL20490062 0.70 SLC1A3 (0.37) TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed