SCHEMBL20549052

SCHEMBL20549052

C=C(C)C(=O)OCCOP(=O)(O)OCCC(C)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.35
BTN3A1 O00481 1/20 0.35
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL15194 0.87 THRB (0.55) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL31091982 0.87 THRB (0.55) THRBTSHRALDH1A1BTN3A1POLB
Ammonia Solution, Strong SCHEMBL18140715 0.85 THRB (0.53) THRBTSHRALDH1A1BTN3A1POLB
Phosphoric Acid SCHEMBL11307097 0.85 THRB (0.53) THRBTSHRALDH1A1BTN3A1POLB
1,3-Butanediol SCHEMBL20549051 0.82 THRB (0.41) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL6833452 0.82 THRB (0.50) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL4797967 0.82 THRB (0.59) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL2638796 0.82 THRB (0.59) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL6833450 0.82 THRB (0.50) THRBTSHRALDH1A1BTN3A1POLB
SCHEMBL65233 0.82 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934398-B2 Method for obtaining a colloidal dispersion, colloidal dispersion and use thereof COMPANHIA NITRO QUIMICA BRASILEIRA (BR) 2021-03-02 US claimed
EP-3398988-B1 METHOD FOR OBTAINING A COLLOIDAL DISPERSION, COLLOIDAL DISPERSION AND USE THEREOF COMPANHIA NITRO QUIM BRASILEIRA (BR) 2020-12-09 EP claimed
EP-3398988-A1 METHOD FOR OBTAINING A COLLOIDAL DISPERSION, COLLOIDAL DISPERSION AND USE THEREOF Companhia Nitro Química Brasileira (BR) 2018-11-07 EP claimed