SCHEMBL3355488

SCHEMBL3355488

CC(C)C(O)C(N)=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8266675 1.00
SCHEMBL15374300 1.00
SCHEMBL16126106 0.81 TP53 (0.33)
SCHEMBL16126104 0.81 TP53 (0.33)
SCHEMBL16126125 0.81 TP53 (0.33)
SCHEMBL16126126 0.81 TP53 (0.33)
SCHEMBL18884727 0.81 TP53 (0.33)
SCHEMBL16126131 0.81 TP53 (0.33)
SCHEMBL16158854 0.81 TP53 (0.33)
SCHEMBL18884728 0.81 TP53 (0.33)

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673242-B1 HYDROPHOBING DISPERSION GEL, METHOD FOR PRODUCING SAME, AND USE THEREOF FOR THE DEEP HYDROPHOBING OF MINERAL MATERIALS IONYS AG (DE) 2015-05-06 EP claimed
US-7235258-B1 Sustained-release formulations for treating CNS-mediated disorders NPS PHARMACEUTICALS, INC. (US) 2007-06-26 US claimed
EP-1576962-A1 Composition comprising isovaleramide and ibuprofen NPS PHARMACEUTICALS, INC. (US) 2005-09-21 EP claimed
US-20040072900-A1 Treating a variety of pathological conditions, including spasticity and convulsions, by effecting a modulation of CNS activity with isovaleramide, isovaleric acid, or a related compound NPS PHARMACEUTICALS 2004-04-15 US claimed
CN-1409630-A Sustainable-release formulations for treating CNS-mediated disorders NPS PHARMA INC (US) 2003-04-09 CN claimed
JP-2002538106-A 2002-11-12 JP claimed
EP-1225888-A2 SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS NPS PHARMACEUTICALS, INC. (US) 2002-07-31 EP claimed
US-6383527-B1 FOR TREATMENT OF ACUTE MUSCULAR ACHES, STRAINS, AND SPRAINS WHICH OCCUR FROM A LOCALIZED, EXTERNAL INSULT TO A PARTICULAR MUSCLE OR MUSCLE GROUP NPS PHARMACEUTICALS, INC. 2002-05-07 US claimed
EP-1176953-A2 TREATMENT OF A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND NPS PHARMACEUTICALS, INC. (US) 2002-02-06 EP claimed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP claimed
WO-2001028516-A2 SUSTAINED-RELEASE FORMULATIONS FOR TREATING CNS-MEDIATED DISORDERS NPS PHARMACEUTICALS, INC. (US) 2001-04-26 WO claimed
EP-1059930-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 2000-12-20 EP claimed
WO-2000051586-A2 TREATING A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND NPS PHARMACEUTICALS, INC. (US) 2000-09-08 WO claimed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
WO-1999044623-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 1999-09-10 WO claimed
US-4464539-A FROM ALPHAHYDROXY AMIDES USING PHOSPHATE CATALYSTS MITSUI TOATSU CHEMICALS, INC. (JP) 1984-08-07 US claimed
US-20260015314-A1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2026-01-15 US disclosed
US-12391641-B2 Prostaglandin EP4 receptor antagonist compounds Nxera Pharma UK Limitied (GB) 2025-08-19 US disclosed
US-4464539-A FROM ALPHAHYDROXY AMIDES USING PHOSPHATE CATALYSTS MITSUI TOATSU CHEMICALS, INC. (JP) 1984-08-07 US disclosed
US-4222960-A Process for the manufacture of α-hydroxycarboxylic acid amides CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1980-09-16 US disclosed