SCHEMBL20395652

SCHEMBL20395652

C=C(C#N)C(=O)OCCOC.C=C(C#N)C(=O)OCOC

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.33
ADORA2A P29274 1/20 0.33
APP P05067 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
SCHEMBL487323 0.93 TSHR (0.62) TSHRALDH1A1THRBADORA2AAPP
SCHEMBL10405585 0.91 ALDH1A1 (0.64) TSHRALDH1A1
SCHEMBL17135313 0.88 TSHR (0.56) TSHRALDH1A1THRBADORA2AAPP
SCHEMBL31186647 0.88 TSHR (0.56) TSHRALDH1A1THRBADORA2AAPP
SCHEMBL29078238 0.88 TSHR (0.56) TSHRALDH1A1THRBADORA2AAPP
SCHEMBL24506037 0.88 TSHR (0.56) TSHRALDH1A1THRBADORA2AAPP
SCHEMBL4579700 0.83 TSHR (0.68) TSHRALDH1A1THRB
SCHEMBL440643 0.82 TSHR (0.58) TSHRALDH1A1THRB
SCHEMBL2675457 0.82 TSHR (0.58) TSHRALDH1A1THRB
SCHEMBL20472550 0.81 TSHR (0.56) TSHRALDH1A1THRB

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
US-20180208690-A1 CURABLE COMPOSITION TOAGOSEI CO., LTD. (JP) 2018-07-26 US disclosed