SCHEMBL20629129

SCHEMBL20629129

C=C(C)C(=O)OCCOC(=O)OC(C)OC(=O)c1c(C)c(NC(C)=O)c(C)c(NC(C)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 3/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL20808497 0.92 THRB (0.32) THRBALDH1A1TSHR
SCHEMBL21949372 0.90 THRB (0.33) THRBALDH1A1TSHR
SCHEMBL20629507 0.85 THRB (0.42) THRBALDH1A1TSHRCA1CA2
SCHEMBL21656699 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26225954 0.78 THRB (0.37) THRBALDH1A1TSHRCA1CA2
SCHEMBL20204440 0.76 THRB (0.40) THRBALDH1A1TSHRCA1CA2
SCHEMBL5435216 0.76 THRB (0.50) THRBALDH1A1TSHRCA1CA2
SCHEMBL22168536 0.74 THRB (0.40) THRBALDH1A1TSHRCA1CA2
SCHEMBL26309543 0.73 THRB (0.43) THRBALDH1A1TSHR
SCHEMBL20629656 0.73 THRB (0.40) THRBALDH1A1TSHRCA1CA2

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
WO-2020237218-A1 PARTICLES MICRO VENTION, INC. (US) 2020-11-26 WO disclosed
EP-3137124-B1 POLYMERS INCLUDING ACTIVE AGENTS MICROVENTION INC (US) 2019-01-09 EP disclosed