SCHEMBL23214366

SCHEMBL23214366

[CH2]C(C)(Br)CCOC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.52
TP53 P04637 3/20 0.52
HIF1A Q16665 3/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 1/20 0.52
THRB P10828 5/20 0.47
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
THRA P10827 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
SCHEMBL28272864 0.86 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4886708 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1015244 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2741578 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8966168 0.83 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL26661210 0.82 TSHR (0.61) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18051631 0.82 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4653958 0.82 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL26661208 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
Ammonia Solution, Strong SCHEMBL21245512 0.80 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3888616-B1 DENTAL PHOTOCURABLE COMPOSITION EXCELLENT IN COLOR TONE SELECTIVITY SHOFU INC (JP) 2024-05-15 EP disclosed
WO-2021117839-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2021-06-17 WO disclosed
WO-2021107152-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2021-06-03 WO disclosed
WO-2021070875-A1 DENTAL COMPOSITION クラレノリタケデンタル株式会社 2021-04-15 WO disclosed