SCHEMBL25810854

SCHEMBL25810854

CC(C)CC(C(=O)OCC1CO1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MGLL Q99685 2/20 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
SCHEMBL12897815 0.78 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL25268181 0.78 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL17599522 0.78 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL16687820 0.77 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLL
SCHEMBL92977 0.77 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4MGLL
SCHEMBL9960267 0.76 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4MGLL
SCHEMBL5247142 0.76 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4MGLL
SCHEMBL14538140 0.75 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4MGLL
SCHEMBL1005343 0.74 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL
SCHEMBL22689592 0.74 ALDH1A1 (0.52) ALDH1A1TP53CYP3A4MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203250-A1 FOAM, COMPOSITE MATERIAL, AND FOAMING COMPOSITION INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-06-29 — — US disclosed
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