.Beta.-Hydroxyisovaleric Acid

.Beta.-Hydroxyisovaleric Acid

SCHEMBL5578340

CC(C)(O)CC(=O)[O-].CC(C)(O)CC(=O)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.42
CA4 P22748 1/20 0.41
CA2 P00918 1/20 0.37
CA1 P00915 2/20 0.36
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
BBOX1 O75936 1/20 0.31

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
.Beta.-Hydroxyisovaleric Acid SCHEMBL723160 0.85 CA4 (0.48) PIK3CDCA4CA2CA1HMGCR
.Beta.-Hydroxyisovaleric Acid SCHEMBL5159905 0.85 CA4 (0.48) PIK3CDCA4CA2CA1HMGCR
.Beta.-Hydroxyisovaleric Acid SCHEMBL10277344 0.85 CA4 (0.48) PIK3CDCA4CA2CA1HMGCR
.Beta.-Hydroxyisovaleric Acid SCHEMBL10276849 0.85
.Beta.-Hydroxyisovaleric Acid SCHEMBL1409113 0.85
.Beta.-Hydroxyisovaleric Acid SCHEMBL2127978 0.82 CA4 (0.46) PIK3CDCA4CA2CA1HMGCR
.Beta.-Hydroxyisovaleric Acid SCHEMBL5162721 0.82 CA4 (0.46) PIK3CDCA4CA2CA1HMGCR
.Beta.-Hydroxyisovaleric Acid SCHEMBL32674118 0.76 HMGCR (0.50) PIK3CDCA4HMGCRCHRM1TBXA2R
SCHEMBL21097459 0.71 CA4 (0.36) PIK3CDCA4CA2CA1
Propionic Acid SCHEMBL19307808 0.71 CA2 (0.46) CA4CA2CA1BBOX1

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
US-20160138192-A1 NANOFIBERS, NANOTUBES AND NANOFIBER MATS COMRPISING CRYSTALLINE METAL OXIDES AND METHODS OF MAKING THE SAME CORNELL UNIVERSITY (US) 2016-05-19 US disclosed
US-9267220-B2 Nanofibers, nanotubes and nanofiber mats comprising crystaline metal oxides and methods of making the same CORNELL UNIVERSITY (US) 2016-02-23 US disclosed
US-20070269655-A1 NANOFIBERS, NANOTUBES AND NANOFIBER MATS COMPRISING CRYSTALLINE METAL OXIDES AND METHODS OF MAKING THE SAME CORNELL UNIVERSITY 2007-11-22 US disclosed