SCHEMBL430835

SCHEMBL430835

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

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
SCHEMBL1054943 0.87
Creatine SCHEMBL27865596 0.81 NOS3 (0.43)
Creatine SCHEMBL346039 0.81 NOS3 (0.43)
Creatine SCHEMBL8468423 0.81 NOS3 (0.43)
Creatine SCHEMBL4007614 0.80 NOS3 (0.46)
Creatine SCHEMBL27979093 0.80 NOS3 (0.46)
Creatine SCHEMBL30063981 0.80
Creatine SCHEMBL21567 0.80
SCHEMBL13862594 0.79
SCHEMBL18121933 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481383-B1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LTD (IN) 2023-06-14 EP disclosed
US-20220162156-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME Cellix Bio Provate Limited (IN) 2022-05-26 US disclosed
EP-3988108-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS Rhythm Pharmaceuticals, Inc. (US) 2022-04-27 EP disclosed
US-20220048850-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION CELLIX BIO PRIVATE LTD (IN) 2022-02-17 US disclosed
EP-3539551-B1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS RHYTHM PHARMACEUTICALS INC (US) 2021-10-06 EP disclosed
EP-3539551-A1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS Rhythm Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
EP-2797615-B1 METHOD OF TREATING MELANOCORTIN-4 RECEPTOR-ASSOCIATED DISORDERS IN HETEROZYGOUS CARRIERS RHYTHM PHARMACEUTICALS INC (US) 2019-04-03 EP disclosed
WO-2018115984-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION CELLIX BIO PRIVATE LIMITED (IN) 2018-06-28 WO disclosed
WO-2018087605-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF GASTROINTESTINAL POLYPS CELLIX BIO PRIVATE LIMITED (IN) 2018-05-17 WO disclosed
WO-2018029545-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2018-02-15 WO disclosed
US-7658936-B2 Long term stability; low viscosity; minimal emulsifier content; oil in water soluton containing fatty alcohols, citric acid and partially neutralized monoglyceride and/or diglyceride fatty esters GOLDSCHMIDT GMBH (DE) 2010-02-09 US disclosed
US-7592019-B2 Cosmetic or dermatological impregnated wipes BEIERSDORF AG (DE) 2009-09-22 US disclosed
US-7511164-B2 Enhanced bioavailability; reacting creatine, fatty acid and thionyl halide MULTI FORMULATIONS LTD (CA) 2009-03-31 US disclosed
US-20080206170-A1 Creatine compositions for skin treatment AVICENA GROUP, INC. 2008-08-28 US disclosed
US-20080200723-A1 CREATINE-FATTY ACIDS MULTI FORMULATIONS LTD. (CA) 2008-08-21 US disclosed
US-20080003208-A1 Creatine-ligand compounds and methods of use thereof AVICENA FROUP, INC. (US) 2008-01-03 US disclosed
US-7314945-B1 Creatine-fatty acids MULTI FORMULATIONS LTD. (CA) 2008-01-01 US disclosed
US-20070281996-A1 Creatine prodrugs, compositions and uses thereof XENOPORT, INC. 2007-12-06 US disclosed
US-20070123453-A1 Uses of melanocortin-4 receptor (mc4r) agonist peptides administered by continuous infusion ELI LILLY AND COMPANY 2007-05-31 US disclosed
US-20070105759-A1 Melanocortin receptor 4 (mc4) agonists and their uses ELI LILLY AND COMPANY (US) 2007-05-10 US disclosed