SCHEMBL2641245

SCHEMBL2641245

C=C[CH]N(N)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
SCHEMBL8986165 0.69
SCHEMBL7465345 0.69
SCHEMBL215024 0.61
SCHEMBL1627385 0.61
Water SCHEMBL5014877 0.58
SCHEMBL2799985 0.58
SCHEMBL3383946 0.58
Hydrochloric Acid SCHEMBL442651 0.58
SCHEMBL8463208 0.58 ALDH1A1 (0.47)
SCHEMBL1041578 0.58

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US claimed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
EP-0707446-A4 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 2001-01-10 EP claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
JP-H08512055-A 1996-12-17 JP claimed
EP-0707446-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO, Howard, K. (US) 1996-04-24 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
WO-1995001096-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FOR TREATMENT OF NEUROLOGICAL DISEASES AND ETIOLOGICALLY RELATED SYMPTOMOLOGY SHAPIRO HOWARD K (US) 1995-01-12 WO claimed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US disclosed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US disclosed
EP-0604641-B1 USE OF A COMBINATION CONTAINING AN AMINE OR AMINE-RELATED DERIVATIVE OF BENZOIC ACID AND AN AMINO-POLYSACCHARIDE IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 2002-03-20 EP disclosed
WO-1994000135-A1 COMPOSITION CONTAINING AMINE AND AMINE-RELATED DERIVATIVES OF BENZOIC ACID AND USES THEREFOR INCLUDING TREATING INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1994-01-06 WO disclosed