SCHEMBL23601629

SCHEMBL23601629

C=C(C)C(=O)OCCOC(=O)c1cc(I)cc(I)c1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
THRB P10828 1/20 0.41
TTR P02766 1/20 0.39
TSHR P16473 3/20 0.36
SERPINE1 P05121 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL23601635 0.95 ESR1 (0.46) ESR1THRBTTRTSHRSERPINE1
SCHEMBL29623140 0.87 THRB (0.41) ESR1THRBTSHRSERPINE1CA1
SCHEMBL6886176 0.87 THRB (0.41) ESR1THRBTSHRSERPINE1CA1
SCHEMBL22168539 0.85 THRB (0.40) ESR1THRBTSHRSERPINE1CA1
SCHEMBL10725906 0.82 THRB (0.45) ESR1THRBTTRTSHRSERPINE1
SCHEMBL27783147 0.82 TTR (0.44) ESR1THRBTTRPOLBHTT
SCHEMBL23601572 0.82 TSHR (0.42) ESR1THRBTSHRSERPINE1CA1
SCHEMBL10040690 0.78 THRB (0.53) THRBTSHRSERPINE1CA1CA2
SCHEMBL22168540 0.78 THRB (0.39) THRBTSHRSERPINE1CA1CA2
SCHEMBL26426706 0.78 ESR1 (0.44) ESR1TTRTSHR

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-20210200093-A1 COATING COMPOSITION FOR PHOTORESIST UNDERLAYER DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-07-01 US disclosed