SCHEMBL6517873

SCHEMBL6517873

C=Cc1ccc(C(C)=S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.40
TSHR P16473 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
HDAC8 Q9BY41 2/20 0.39
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TRPA1 O75762 1/20 0.35
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL25360351 0.80 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL1760727 0.78 ALDH1A1 (0.55) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL28867765 0.78 ALDH1A1 (0.55) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL6897191 0.76 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL8857041 0.76 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL273504 0.76 ALDH1A1 (0.52) ALDH1A1TDP1TAS1R3TAS1R1GLA
SCHEMBL10972630 0.76 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL8857044 0.76 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTAS1R3TAS1R1
Methyl Alcohol SCHEMBL28639806 0.76 ALDH1A1 (0.79) ALDH1A1TDP1TSHRTAS1R3TAS1R1
SCHEMBL8082923 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTAS1R3TAS1R1

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
CN-119330675-A Quick-drying leveling mortar for adhering rock plates and preparation method and application thereof 广东合睿智造新材料有限公司 2025-01-21 CN claimed
CN-119330675-A Quick-drying leveling mortar for adhering rock plates and preparation method and application thereof 广东合睿智造新材料有限公司 2025-01-21 CN disclosed
US-20050233158-A1 Molecular electronic interconnects TOUR JAMES M 2005-10-20 US disclosed
WO-2003032330-A2 MOLECULAR ELECTRONIC INTERCONNECTS TOUR JAMES M (US) 2003-04-17 WO disclosed