SCHEMBL29690397

SCHEMBL29690397

CCCCOCCC(C)CC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
GBA2 Q9HCG7 2/20 0.30
HSD17B10 Q99714 2/20 0.30
GBA1 P04062 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 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
SCHEMBL29690013 0.94 HTT (0.39) TSHRMAPTMEN1THRBHTT
SCHEMBL15844649 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL29690422 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL15844282 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL29690380 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL8601389 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL19326797 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL15844144 0.92 HTT (0.42) MAPTMEN1THRBHTTKMT2A
SCHEMBL13286570 0.90
SCHEMBL13286580 0.90

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-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