SCHEMBL23375504

SCHEMBL23375504

C=C(C)C(=O)OCC[N+](CC)(CC)CCCCCCCCCCCC[N+](CC)(CC)CCOC(=O)C(=C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.49
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DNM1 Q05193 4/20 0.36
ACHE P22303 3/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRM5 P08912 1/20 0.36
CHRM2 P08172 1/20 0.36
ALDH1A1 P00352 2/20 0.35

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
Hydrochloric Acid SCHEMBL28582384 0.95 TSHR (0.65) TSHRTHRBDNM1ACHEALDH1A1
Hydrochloric Acid SCHEMBL28573850 0.95 TSHR (0.65) TSHRTHRBDNM1ACHEALDH1A1
SCHEMBL2744210 0.95 TSHR (0.65) TSHRTHRBDNM1ACHEALDH1A1
SCHEMBL11097565 0.95 TSHR (0.65) TSHRTHRBDNM1ACHEALDH1A1
SCHEMBL10883937 0.92 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL27656623 0.90 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2744512 0.90 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT
SCHEMBL6863232 0.90 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
Hydrochloric Acid SCHEMBL27656702 0.90 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL24901037 0.90 TSHR (0.71) TSHRTHRBPOLBAPEX1HTT

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
WO-2021094960-A1 PHOTOPOLYMERIZABLE ANTIBACTERIAL MONOMER UNIVERSITA' DEGLI STUDI DI TRIESTE (IT) 2021-05-20 WO disclosed