SCHEMBL28458201

SCHEMBL28458201

C=C(C)C.O=C1CCC(=O)OCCO1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2C9 P11712 1/20 0.37

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
SCHEMBL45244 0.83 TSHR (0.71) LMNATSHRALDH1A1TP53CA1
SCHEMBL12158591 0.83 TSHR (0.71) LMNATSHRALDH1A1TP53CA1
SCHEMBL27851640 0.81 CA1 (0.70) LMNATSHRALDH1A1TP53CA1
SCHEMBL31439256 0.80 TSHR (0.67) LMNATSHRALDH1A1TP53CA1
SCHEMBL9724356 0.78 TSHR (0.65) LMNATSHRALDH1A1TP53
SCHEMBL11269485 0.78 TSHR (0.65) LMNATSHRALDH1A1TP53
SCHEMBL21259 0.78 TSHR (0.65) LMNATSHRALDH1A1TP53
Bicarbonate SCHEMBL2502633 0.78 TSHR (0.56) LMNATSHRALDH1A1TP53CA1
Ammonia Solution, Strong SCHEMBL2373983 0.76 TSHR (0.61) LMNATSHRALDH1A1TP53
Ethylene SCHEMBL29140016 0.76 TSHR (0.61) LMNATSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801854-A Fuel oil detergent composition and preparation method thereof 比亚迪股份有限公司 2024-04-02 CN claimed
CN-111662145-B Thickening type emulsion explosive and manufacturing method thereof 北矿亿博(沧州)科技有限责任公司 2021-08-06 CN disclosed
CN-111662145-A Thickening type emulsion explosive and manufacturing method thereof 北矿亿博(沧州)科技有限责任公司 2020-09-15 CN disclosed