SCHEMBL9859853

SCHEMBL9859853

CC(O)COC(O)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL17613104 1.00 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL9910554 0.88 TDP1 (0.46) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL18254540 0.82 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL18254538 0.82 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL22811218 0.82 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL737249 0.77 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL23630292 0.76 LMNA (0.38) TDP1MAPK1TSHRLMNAALDH1A1
SCHEMBL10987335 0.76 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL16478004 0.76 TDP1 (0.43) TDP1MAPK1HSD17B10TSHRLMNA
SCHEMBL1416868 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117535060-A High-cloud-point anionic nonionic siloxane surfactant for oil-based drilling fluid cleaning agent and preparation method thereof 西南石油大学 2024-02-09 CN claimed
EP-0112517-B1 POLYETHER COMPOUNDS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-04-16 EP claimed
US-4565862-A ANTIINFLAMMATORY AGENTS;ANIMAL GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US claimed
EP-3928967-B1 SILICONE HYDROGEL CONTACT LENSES ALCON INC (CH) 2023-07-26 EP disclosed
CN-116023229-A Method and system for purifying cumene material and purified cumene 中国石油化工股份有限公司 2023-04-28 CN disclosed
EP-0425643-A1 OCTADIENYL ETHERS AND A PROCESS FOR MAKING OCTADIENYL ETHERS. HENKEL RESEARCH CORP (US) 1991-05-08 EP disclosed
WO-1990013531-A2 OCTADIENYL ETHERS AND A PROCESS FOR MAKING OCTADIENYL ETHERS HENKEL RESEARCH CORPORATION (US) 1990-11-15 WO disclosed
US-4565862-A ANTIINFLAMMATORY AGENTS;ANIMAL GROWTH REGULATORS HOFFMANN-LA ROCHE INC. (US) 1986-01-21 US disclosed