SCHEMBL21733115

SCHEMBL21733115

COCC(C)C(=O)OCCO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.34
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 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
SCHEMBL10405114 0.82 HSD17B10 (0.38) TSHRALDH1A1
SCHEMBL12752046 0.79 TSHR (0.33) TSHRALDH1A1ACHE
SCHEMBL13876695 0.79 ACHE (0.39) TSHRALDH1A1ACHECHRNB2CHRNB4
SCHEMBL15521662 0.79 ACHE (0.39) TSHRALDH1A1ACHECHRNB2CHRNB4
SCHEMBL786190 0.79 ACHE (0.39) TSHRALDH1A1ACHECHRNB2CHRNB4
SCHEMBL12893358 0.79 TSHR (0.38) TSHRALDH1A1ACHECHRNB2CHRNB4
SCHEMBL24242053 0.79 TSHR (0.45) TSHRALDH1A1
SCHEMBL445640 0.79 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL17635142 0.78 ALDH1A1 (0.50) TSHRALDH1A1ACHE
SCHEMBL445678 0.78

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-3254678-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2020-02-19 EP disclosed