SCHEMBL11210122

SCHEMBL11210122

C=C(C)OC(=O)CC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL385349 0.84 ELANE (0.43) ELANETDP1TSHRALDH1A1
SCHEMBL27928997 0.80 ELANE (0.41) ELANEALDH1A1
SCHEMBL11207226 0.80 TDP1 (0.46) TDP1HSD17B10TSHRALDH1A1
SCHEMBL16439991 0.77 ELANE (0.39) ELANEALDH1A1
SCHEMBL26332658 0.77 ELANE (0.39) ELANETSHRALDH1A1
SCHEMBL6970242 0.76 ALDH1A1 (0.41) ELANETDP1TSHRALDH1A1
SCHEMBL5764417 0.76
SCHEMBL8386034 0.75 ELANE (0.33) ELANETSHR
SCHEMBL483550 0.74
SCHEMBL10738434 0.74 HSD17B10 (0.44) TDP1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119585437-A Eribulin Process for the preparation of intermediates 上海皓元医药股份有限公司 2025-03-07 CN claimed
CN-115323011-A Preparation method of eribulin intermediate 上海皓元医药股份有限公司 2022-11-11 CN claimed
CN-119585437-A Eribulin Process for the preparation of intermediates 上海皓元医药股份有限公司 2025-03-07 CN disclosed
CN-115323011-A Preparation method of eribulin intermediate 上海皓元医药股份有限公司 2022-11-11 CN disclosed
EP-0008299-B1 POLY(ISOPROPENYL ESTERS) AS CARBOXYLIC ACID-RELEASE AGENTS ON TOBACCO PHILIP MORRIS INCORPORATED (US) 1983-04-13 EP disclosed
EP-0008299-A4 POLY(ISOPROPENYL ESTERS) AS CARBOXYLIC ACID-RELEASE AGENTS ON TOBACCO. PHILIP MORRIS INC (US) 1980-09-29 EP disclosed
EP-0008299-A1 POLY(ISOPROPENYL ESTERS) AS CARBOXYLIC ACID-RELEASE AGENTS ON TOBACCO. PHILIP MORRIS INC (US) 1980-02-20 EP disclosed
US-4171702-A Poly (isopropenyl esters) as carboxylic acid-release agents on tobacco PHILIP MORRIS INCORPORATED (US) 1979-10-23 US disclosed
WO-1979000488-A1 POLY(ISOPROPENYL ESTERS)AS CARBOXYLIC ACID-RELEASE AGENTS ON TO-BACCO PHILIP MORRIS INC (US) 1979-07-26 WO disclosed