SCHEMBL21579355

SCHEMBL21579355

CC(C)(O)CCOC(C)(C)N

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL19215816 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL20096506 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL16126261 0.78 ALDH1A1 (0.39) ALDH1A1
SCHEMBL12122927 0.78 ALDH1A1 (0.50) ALDH1A1
SCHEMBL19728786 0.78
SCHEMBL18583240 0.78 GRM4 (0.33)
SCHEMBL28066977 0.75
SCHEMBL20813519 0.75 ALDH1A1 (0.41) ALDH1A1
SCHEMBL21154352 0.74 ALDH1A1 (0.45) ALDH1A1
SCHEMBL14404728 0.74 ALDH1A1 (0.45) ALDH1A1

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-3145548-B1 AQUEOUS GEL COMPOSITION AND ITS USE UNIV COPENHAGEN (DK) 2022-04-13 EP disclosed
EP-3386931-B1 OPTICAL FIBER COATING AND COMPOSITION WITH UV-ABSORBING ADDITIVE CORNING INC (US) 2021-04-07 EP disclosed
EP-3045539-B1 ETHANOL FERMENTATION METHOD IN THE PRESENCE OF A SURFACTANT DALIAN INST CHEM & PHYSICS CAS (CN) 2021-01-20 EP disclosed
US-20190352459-A1 Chemical Compounds For Coating Of Nanostructures SPAGO NANOMEDICAL AB (SE) 2019-11-21 US disclosed