SCHEMBL29777402

SCHEMBL29777402

C=CC(=O)C(O)(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.41
BBOX1 O75936 2/20 0.33

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
SCHEMBL30402594 0.81 CA4 (0.39) CA4
SCHEMBL31121005 0.81 CA4 (0.39) CA4BBOX1
SCHEMBL29540929 0.79 CA4 (0.38) CA4BBOX1
SCHEMBL30758921 0.78 CA4 (0.37) CA4BBOX1
SCHEMBL30160923 0.77 CA4 (0.46) CA4BBOX1
SCHEMBL29497518 0.77 CA4 (0.46) CA4BBOX1
SCHEMBL31596793 0.76 CA4 (0.35) CA4BBOX1
Hydrochloric Acid SCHEMBL31574660 0.76 CA4 (0.45) CA4
Hydrochloric Acid SCHEMBL30446529 0.76 CA4 (0.45) CA4
SCHEMBL31046982 0.74 CA4 (0.43) CA4

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-3244878-B1 SOLID ORAL DOSAGE FORMS ENTERIS BIOPHARMA INC (US) 2022-08-10 EP claimed
EP-4685483-A1 SPHINGOLIPID METABOLIC MARKER, ANALYSIS METHOD THEREFOR AND USE THEREOF China-Japan Friendship Hospital (China-Japan Friendship Institute of Clinical Medicine) (CN) 2026-01-28 EP disclosed
CN-114878723-B Metabolic marker for rapidly diagnosing multiple myeloma and application thereof 中日友好医院(中日友好临床医学研究所) 2022-09-23 CN disclosed
CN-114878723-A Metabolism marker for rapidly diagnosing multiple myeloma and application thereof 中日友好医院(中日友好临床医学研究所) 2022-08-09 CN disclosed