SCHEMBL23996149

SCHEMBL23996149

CCC(=O)OCCC1CCC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ CHRM4 P08173 1/20 0.42
▸ SLC18A3 Q16572 2/20 0.41
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL27640699 0.77 SLC18A3 (0.62) AKR1C3AKR1C1CHRM4SLC18A3RAB9A
SCHEMBL28085500 0.75 NAAA (0.47) —
SCHEMBL766285 0.75 AKR1C3 (0.53) AKR1C3AKR1C1
SCHEMBL23996158 0.75 KLK7 (0.47) AKR1C3AKR1C1
SCHEMBL22459146 0.74 AKR1C3 (0.47) AKR1C3AKR1C1SLC18A3RAB9A
SCHEMBL13439387 0.73 NAAA (0.39) CHRM4
SCHEMBL27706017 0.73 MAPT (0.39) CHRM4
SCHEMBL12209860 0.73 AKR1C3 (0.50) AKR1C3AKR1C1
SCHEMBL9330365 0.72 AKR1C3 (0.47) AKR1C3AKR1C1
SCHEMBL16839034 0.72 LTA4H (0.44) AKR1C3AKR1C1

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
US-11770971-B2 Esters containing aromatic groups as solvents for organic electronic formulations MERCK PATENT GMBH (DE) 2023-09-26 — — US disclosed
US-11770971-B2 Esters containing aromatic groups as solvents for organic electronic formulations MERCK PATENT GMBH (DE) 2023-09-26 — — US disclosed
EP-3391428-B1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-06-29 — — EP disclosed
US-20220102649-A1 ESTERS CONTAINING AROMATIC GROUPS AS SOLVENTS FOR ORGANIC ELECTRONIC FORMULATIONS MERCK PATENT GMBH (DE) 2022-03-31 — — US disclosed
US-11171294-B2 Esters containing aromatic groups as solvents for organic electronic formulations MERCK PATENT GMBH (DE) 2021-11-09 — — US disclosed
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