SCHEMBL29690113

SCHEMBL29690113

CC(C)CC(C(C)(C)C)C(C)(C)OC(C)(C)C(CC(C)C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL29690455 0.79
SCHEMBL18411654 0.69 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL29690364 0.67 CA2 (0.33) ALDH1A1MAPK1
2,2,3-Trimethylbutane SCHEMBL11528678 0.65 TSHR (0.39) ALDH1A1TSHRMAPK1
SCHEMBL5820934 0.65
SCHEMBL29690305 0.65 OPRM1 (0.36)
SCHEMBL11125896 0.65 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL7112914 0.63
SCHEMBL598944 0.63 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1
SCHEMBL3721888 0.63 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP claimed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO claimed
EP-4277591-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR Momentive Performance Materials GmbH (DE) 2023-11-22 EP disclosed
WO-2022152742-A1 ETHER COMPOUNDS AS VOLATILES FOR THE TREATMENT OF AMINO ACID BASED SUBSTRATES, SUCH AS SKIN AND HAIR MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2022-07-21 WO disclosed