SCHEMBL9559657

SCHEMBL9559657

CC(C)C(O)C(C)(C)COC(=O)C(C)(C)C(O)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34

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
SCHEMBL18918974 0.86 TRPA1 (0.31) TRPA1
SCHEMBL15412274 0.82 TRPA1 (0.37) TRPA1
SCHEMBL9932119 0.80 TRPA1 (0.32) TRPA1
SCHEMBL56321 0.80 TRPA1 (0.36) TRPA1
SCHEMBL783208 0.80 TRPA1 (0.36) TRPA1
SCHEMBL1665854 0.80 TRPA1 (0.40) TRPA1
SCHEMBL13256822 0.80 MMP8 (0.44)
SCHEMBL28260209 0.78 TSHR (0.39)
SCHEMBL7639334 0.77 HCAR2 (0.35) TRPA1
SCHEMBL28094111 0.77 NAAA (0.34) TRPA1

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-0317977-B1 PRODUCTION OF TRISUBSTITUTED HYDROXYALKYL ALKANOATES FROM ALDEHYDES UNION CARBIDE CORPORATION (US) 1993-03-17 EP disclosed
US-4883906-A RECOVERING PRODUCT BEFORE IT COOLS OR COMES INTO CONTACT WITH WATER UNION CARBIDE CORPORATION (US) 1989-11-28 US disclosed
EP-0317977-A2 Production of trisubstituted hydroxyalkyl alkanoates from aldehydes UNION CARBIDE CORPORATION (US) 1989-05-31 EP disclosed