SCHEMBL3177665

SCHEMBL3177665

CC(C)(CO)CC(=O)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
T-Butylacetic Acid SCHEMBL27918136 0.92 KDM4E (0.50)
SCHEMBL30854909 0.84 KDM4E (0.65)
SCHEMBL48109 0.84 KDM4E (0.65)
Hydrochloric Acid SCHEMBL5406891 0.81 KDM4E (0.70)
SCHEMBL10887236 0.81 KDM4E (0.62)
SCHEMBL10887191 0.81 KDM4E (0.62)
SCHEMBL8581488 0.81 KDM4E (0.62)
SCHEMBL11439787 0.81 KDM4E (0.62)
SCHEMBL6733907 0.81 KDM4E (0.62)
SCHEMBL9819340 0.81 KDM4E (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083866-A1 COMPOSITIONS TARGETING ENDOTHELIAL CELLS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-26 US claimed
WO-2024243545-A1 COMPOSITIONS TARGETING ENDOTHELIAL CELLS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-28 WO claimed
US-8273787-B2 Activated cytotoxic compounds for attachment to targeting molecules for the treatment of mammalian disease conditions ONCONOVA THERAPEUTICS, INC (US) 2012-09-25 US claimed
US-20100022615-A1 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC (US) 2010-01-28 US claimed
WO-2008033475-A2 ACTIVATED CYTOTOXIC COMPOUNDS FOR ATTACHMENT TO TARGETING MOLECULES FOR THE TREATMENT OF MAMMALIAN DISEASE CONDITIONS ONCONOVA THERAPEUTICS, INC. (US) 2008-03-20 WO claimed
EP-1317497-A4 POLYESTER RESINS WITH IMPROVED PROPERTIES POLYMERS AUSTRALIA PTY LTD (AU) 2005-03-02 EP claimed
US-20040116619-A1 Polyester resins with improved properties POLYMERS AUSTRALIA PTY LIMITED (AU) 2004-06-17 US claimed
CN-1474842-A Polyester resins with improved properties �Ĵ����Ǿۺ���ع����޹�˾ 2004-02-11 CN claimed
EP-1317497-A1 POLYESTER RESINS WITH IMPROVED PROPERTIES Polymers Australia PTY Limited (AU) 2003-06-11 EP claimed
WO-2002022705-A1 POLYESTER RESINS WITH IMPROVED PROPERTIES POLYMERS AUSTRALIA PTY LTD (AU) 2002-03-21 WO claimed
CN-122055373-A Bridged tricyclic carbamoyl pyridone compounds and uses thereof 吉利德科学公司 2026-05-15 CN disclosed
US-20260083866-A1 COMPOSITIONS TARGETING ENDOTHELIAL CELLS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-26 US disclosed
WO-2024243545-A1 COMPOSITIONS TARGETING ENDOTHELIAL CELLS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-28 WO disclosed
CN-116283647-A Prodrug modulators that integrate stress pathways 卡里科生命科学有限责任公司 2023-06-23 CN disclosed
WO-2020165600-A1 BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF BICYCLETX LIMITED (GB) 2020-08-20 WO disclosed
WO-2002022705-A1 POLYESTER RESINS WITH IMPROVED PROPERTIES POLYMERS AUSTRALIA PTY LTD (AU) 2002-03-21 WO disclosed
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 disclosed
EP-1059930-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 2000-12-20 EP disclosed
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 disclosed
WO-1999044623-A1 COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID NPS PHARMACEUTICALS, INC. (US) 1999-09-10 WO disclosed