SCHEMBL29501671

SCHEMBL29501671

C=C[C@@]1(OC(C)=O)CCC(C)(C)C[C@H]1CC

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL28988267 1.00 NPSR1 (0.32) NPSR1
SCHEMBL29501665 0.79 NPSR1 (0.32) NPSR1
SCHEMBL28988237 0.72 NPSR1 (0.30) NPSR1
SCHEMBL2640116 0.69 TDP1 (0.35)
SCHEMBL29501661 0.69 GAA (0.40)
SCHEMBL29501644 0.68
SCHEMBL28988228 0.68
SCHEMBL28988210 0.68
SCHEMBL30482228 0.68
SCHEMBL28988231 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4153552-A2 PROCESS AND INTERMEDIATES FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL) PROPANAL DERIVATIVES Firmenich SA (CH) 2023-03-29 EP disclosed
WO-2022049036-A2 PROCESS FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL)PROPANAL DERIVATIVES FIRMENICH SA (CH) 2022-03-10 WO disclosed