SCHEMBL22436637

SCHEMBL22436637

CCC=C(C)C(=O)OOCCOCCOCC

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL317282 0.98 ALDH1A1 (0.42) ALDH1A1TSHRTHRB
SCHEMBL22501013 0.88
SCHEMBL29060505 0.87 TSHR (0.37) ALDH1A1TSHRTHRB
SCHEMBL28078002 0.82
SCHEMBL8026691 0.82 THRB (0.35) ALDH1A1TSHRTHRB
SCHEMBL23152544 0.82 MEN1 (0.35) THRB
SCHEMBL7632074 0.81 GLO1 (0.33) ALDH1A1
SCHEMBL322512 0.81 GLO1 (0.33) ALDH1A1
SCHEMBL3691310 0.80 THRB (0.58) ALDH1A1TSHRTHRB
SCHEMBL17199696 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTHRB

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-3710414-A1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS Wacker Chemie AG (DE) 2020-09-23 EP disclosed