SCHEMBL6729672

SCHEMBL6729672

C=C(CCCCCCO[C@H]1CC[C@H](COc2ccc(OC[C@H]3CC[C@H](OCCCCCCC(=C)C(=O)O)CC3)c(C(=O)OCCCC#N)c2)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 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
SCHEMBL7917035 0.89 PDE4B (0.32) ACACB
SCHEMBL18873121 0.88 PDE4B (0.33) ACACB
SCHEMBL6729675 0.88 PDE4B (0.33) ACACB
SCHEMBL6734712 0.79 — —
SCHEMBL12567533 0.69 ALDH1A1 (0.38) —
SCHEMBL21400159 0.66 ACACB (0.42) ACACB
SCHEMBL6734714 0.65 — —
SCHEMBL21413243 0.63 THRB (0.37) —
SCHEMBL13090056 0.63 CYSLTR1 (0.40) —
SCHEMBL6723866 0.63 CYSLTR1 (0.40) —

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-1154981-B1 LIQUID CRYSTAL COMPOUNDS ROLIC AG (CH) 2004-07-21 — — EP disclosed
US-6676851-B1 LOW MELTING, GOOD ALIGNMENT ARYL BRANCHED ETHER-ESTER LINKED DIACRYLATES; REMAIN STABLE DURING COATING AND CROSSLINKING ROLIC AG (CH) 2004-01-13 — — US disclosed
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