SCHEMBL30002745

SCHEMBL30002745

CCC/C=C\CCCC#N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
ALDH1A1 P00352 3/20 0.35
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
HIF1A Q16665 4/20 0.33
EPAS1 Q99814 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENPP1 P22413 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNB2 Q08289 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL16748985 0.93 TSHR (0.52) TSHRFAAHTRPV1HIF1AEPAS1
SCHEMBL11855921 0.90 TSHR (0.62) TSHRALDH1A1FAAHTRPV1ABCG2
SCHEMBL11855927 0.90 TSHR (0.62) TSHRALDH1A1FAAHTRPV1ABCG2
SCHEMBL21441792 0.88 TSHR (0.46) TSHRALDH1A1FAAHTRPV1
SCHEMBL23797563 0.88 TSHR (0.59) TSHRFAAHTRPV1
SCHEMBL17982758 0.87 TSHR (0.45) TSHRALDH1A1HIF1AEPAS1TDP1
SCHEMBL17982757 0.87 TSHR (0.45) TSHRALDH1A1HIF1AEPAS1TDP1
SCHEMBL11850790 0.86 TSHR (0.56) TSHRFAAHTRPV1TDP1
SCHEMBL11850798 0.86 TSHR (0.56) TSHRFAAHTRPV1TDP1
SCHEMBL11859975 0.86 TSHR (0.56) TSHRFAAHTRPV1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115104047-B Infrared shielding film and infrared shielding material 三菱综合材料株式会社 2024-06-07 CN claimed
US-12174406-B2 Infrared shielding film and infrared shielding material MITSUBISHI MATERIALS CORPORATION (JP) 2024-12-24 US disclosed
CN-115104047-B Infrared shielding film and infrared shielding material 三菱综合材料株式会社 2024-06-07 CN disclosed
US-20230081640-A1 INFRARED SHIELDING FILM AND INFRARED SHIELDING MATERIAL MITSUBISHI MATERIALS CORPORATION (JP) 2023-03-16 US disclosed
EP-4089449-A1 INFRARED SHIELDING FILM AND INFRARED SHIELDING MATERIAL Mitsubishi Materials Corporation (JP) 2022-11-16 EP disclosed
CN-115104047-A Infrared shielding film and infrared shielding material 三菱综合材料株式会社 2022-09-23 CN disclosed