SCHEMBL21457789

SCHEMBL21457789

O=CC1(C2CCCCC2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
ADH1B P00325 1/20 0.32
ADH4 P08319 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL9158295 1.00 ADH1A (0.32) ADH1AADH1CADH1BADH4LMNA
SCHEMBL31476927 1.00 ADH1A (0.32) ADH1AADH1CADH1BADH4LMNA
SCHEMBL31476907 1.00 ADH1A (0.32) ADH1AADH1CADH1BADH4LMNA
SCHEMBL2653668 1.00 ADH1A (0.32) ADH1AADH1CADH1BADH4LMNA
SCHEMBL11827376 0.98 ADH1A (0.31) ADH1AADH1CADH1BADH4LMNA
SCHEMBL31008449 0.97 LMNA (0.32) LMNATSHR
SCHEMBL3465699 0.95 ADH1A (0.32) ADH1AADH1CADH1BADH4
SCHEMBL3180740 0.92 ADH1A (0.33) ADH1AADH1CADH1BADH4
SCHEMBL6588160 0.90
SCHEMBL19736192 0.84 EPHX1 (0.31)

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
EP-3387077-B1 FORMULATIONS CONTAINING KETONES COMPRISING NON-AROMATIC CYCLES MERCK PATENT GMBH (DE) 2023-10-18 EP disclosed
EP-3552252-B1 PREPARATION PROCESS FOR AN ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-05-17 EP disclosed
EP-3552252-A1 PREPARATION PROCESS FOR AN ELECTRONIC DEVICE Merck Patent GmbH (DE) 2019-10-16 EP disclosed