SCHEMBL28503182

SCHEMBL28503182

C=CC(=O)OCCCCCC(C)C.C=COC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 9/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ HPGD P15428 2/20 0.47
▸ TP53 P04637 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ ATM Q13315 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
Methacrylic Acid SCHEMBL31475557 0.93 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL673261 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2098727 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL52064 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275191 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25228041 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25275202 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25270629 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20503422 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25281286 0.89 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116425929-A Efficient anti-foaming agent for high-temperature severe environment, and preparation method and application thereof 中国人民解放军空军勤务学院 2023-07-14 — — CN claimed
CN-116425929-A Efficient anti-foaming agent for high-temperature severe environment, and preparation method and application thereof 中国人民解放军空军勤务学院 2023-07-14 — — CN disclosed
CN-116425929-A Efficient anti-foaming agent for high-temperature severe environment, and preparation method and application thereof 中国人民解放军空军勤务学院 2023-07-14 — — CN disclosed
CN-112160038-B Colored polylactic acid tow and preparation method thereof 深圳市华远新材料有限公司 2022-08-16 — — CN disclosed
CN-112160038-A Colored polylactic acid tow and preparation method thereof 深圳市华远新材料有限公司 2021-01-01 — — CN disclosed
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