SCHEMBL9255618

SCHEMBL9255618

CC(=O)C(CC1CO1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27310323 0.86 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27510653 0.79 ALDH1A1 (0.51) ALDH1A1
SCHEMBL9510197 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL5667745 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8846758 0.76
SCHEMBL15947892 0.76
SCHEMBL29236044 0.76
SCHEMBL1519063 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL536714 0.75 TDP1 (0.36) ALDH1A1
SCHEMBL24162984 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756035-B1 RADIATION-CURABLE COATINGS FOR METAL SUBSTRATES FROM MULTIFUNCTIONAL ACRYLATE OLIGOMERS ASHLAND LICENSING & INTELLECTU (US) 2013-08-14 EP claimed
US-5416224-A Reaction of acetyldihydro-2-(3H)-furanone with aldehyde and alkali metal hydroxide HENKEL CORPORATION (US) 1995-05-16 US disclosed
US-5231192-A Reacting an a-acyl lactone, an aldehyde and an alkali metal hydroxide; hydrogenation HENKEL CORPORATION (US) 1993-07-27 US disclosed
US-5183908-A Process for the preparation of substituted furanones HENKEL CORPORATION (US) 1993-02-02 US disclosed
US-4980342-A Process for the preparation of α-alkyl lactones HENKEL CORPORATION (US) 1990-12-25 US disclosed