SCHEMBL276778

SCHEMBL276778

CCC(C)CC(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
SCHEMBL5049546 1.00
SCHEMBL13366391 1.00
Ethane SCHEMBL8514870 0.97 CA1 (0.36)
Hydrochloric Acid SCHEMBL10336374 0.97
SCHEMBL3392036 0.85 ALDH1A1 (0.38)
SCHEMBL19619339 0.80 CA1 (0.37)
SCHEMBL11413659 0.80 ECE1 (0.35)
Acetamide SCHEMBL4103797 0.80 LMNA (0.47)
SCHEMBL25078569 0.79
SCHEMBL276380 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180188-B2 Antifibrotic compounds and related methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2024-12-31 US claimed
EP-4153177-A1 ANTIFIBROTIC COMPOUNDS AND RELATED METHODS Florida State University Research Foundation, Inc. (US) 2023-03-29 EP claimed
US-20230090542-A1 Antifibrotic Compounds And Related Methods THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2023-03-23 US claimed
US-11548874-B2 Antifibrotic compounds and related methods FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-01-10 US claimed
US-20210363131-A1 Antifibrotic Compounds And Related Methods THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2021-11-25 US claimed
WO-2021236410-A1 ANTIFIBROTIC COMPOUNDS AND RELATED METHODS FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2021-11-25 WO claimed
WO-2009129371-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2009-10-22 WO claimed
US-20090264499-A1 Cathepsin C Inhibitors GLAXO GROUP LIMITED (GB) 2009-10-22 US 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-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
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-1999044623-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 1999-09-10 WO claimed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP claimed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 WO claimed
EP-0337765-B1 ACYLSULFONAMIDE DERIVATIVES OF ALPHA-CARBOCYCLYLTOLUIC ACIDS USED AS LEUKOTRIENE ANTAGONISTS ICI AMERICAS INC. (US) 1992-10-14 EP claimed
US-5095038-A Antiinflammatory, antiallergens ICI AMERICAS INC. (US) 1992-03-10 US claimed