SCHEMBL542223

SCHEMBL542223

NC(=O)C1(O)CCCC1

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
SCHEMBL28559167 0.97 TSHR (0.35)
SCHEMBL17288069 0.97 TSHR (0.35)
SCHEMBL989298 0.97 TSHR (0.35)
SCHEMBL2689810 0.97 TSHR (0.35)
SCHEMBL11610210 0.97 TSHR (0.35)
SCHEMBL3209516 0.94
SCHEMBL1793505 0.87
SCHEMBL4442506 0.79
SCHEMBL30684533 0.78
Formic Acid SCHEMBL29521213 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932335-B2 Pyrrolopyridine or pyrazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2018-04-03 US claimed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP claimed
CN-104854087-B Indole carboxamide derivatives as P2X receptor antagonists 埃科特莱茵药品有限公司 2017-03-22 CN claimed
US-9556117-B2 Indole carboxamide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-01-31 US claimed
EP-2935211-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-11-09 EP claimed
US-9409866-B2 Pyridine-2-amides useful as CB2 agonists HOFFMANN-LA ROCHE INC. (US) 2016-08-09 US claimed
US-20160194321-A1 PYRROLOPYRIDINE OR PYRAZOLOPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-07-07 US claimed
EP-2968233-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2016-01-20 EP claimed
US-20150344429-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2015-12-03 US claimed
US-20150344425-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-03 US claimed
US-20060199206-A1 Method for identifying skin care composition-resistant skin-binding peptides E. I. DU PONT DE NEMOURS AND COMPANY 2006-09-07 US claimed
EP-1663118-A2 PEPTIDE-BASED CONDITIONERS AND COLORANTS FOR HAIR, SKIN, AND NAILS E. I. du Pont de Nemours and Company (US) 2006-06-07 EP claimed
US-20060073111-A1 Method for identifying shampoo-resistant hair-binding peptides and hair benefit agents therefrom E. I. DU PONT DE NEMOURS AND COMPANY 2006-04-06 US claimed
WO-2006028503-A1 PEPTIDE-BASED BODY SURFACE REAGENTS FOR PERSONAL CARE E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-03-16 WO claimed
WO-2005117537-A2 PEPTIDE-BASED CARBON NANOTUBE HAIR COLORANTS AND THEIR USE IN HAIR COLORANT AND COSMETIC COMPOSITIONS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-12-15 WO claimed
US-20050249682-A1 Long lasting waterproof sunscreen comprising metal oxide and peptide conditioner E. I. DU PONT DE NEMOURS AND COMPANY 2005-11-10 US claimed
US-20050229335-A1 Peptide-based carbon nanotube hair colorants and their use in hair colorant and cosmetic compositions E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-20 US claimed
US-20050226839-A1 Pepetide-based body surface reagents for personal care E. I. DU PONT DE NEMOURS AND COMPANY 2005-10-13 US claimed
WO-2005025505-A2 PEPTIDE-BASED CONDITIONERS AND COLORANTS FOR HAIR, SKIN, AND NAILS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-03-24 WO claimed
US-20050050656-A1 Peptide-based conditioners and colorants for hair, skin, and nails E. I. DU PONT DE NEMOURS AND COMPANY 2005-03-10 US claimed