SCHEMBL1122022

SCHEMBL1122022

NCC=O.[AlH3]

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
SCHEMBL6534653 0.95
SCHEMBL37921 0.95
SCHEMBL30874993 0.95
Bromide SCHEMBL8432007 0.90 ALDH1A1 (0.36)
Hydrochloric Acid SCHEMBL5838863 0.90
SCHEMBL7593832 0.90
Water SCHEMBL11593864 0.90
SCHEMBL9738638 0.90
SCHEMBL31401982 0.90
Bromide SCHEMBL17255830 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090005842-A1 Cooling System ALPHARMA INC., ANIMAL HEALTH DIVISION (US) 2009-01-01 US claimed
WO-2008048906-A2 COOLING SYSTEM ALPHARMA INC., ANIMAL HEALTH DIVISION (US) 2008-04-24 WO claimed
JP-10316590-A None JP disclosed
US-20160015654-A1 ADHESIVE COMPOSITION FOR MEDICAL USE, PATCH FOR MEDICAL USE, AND METHOD FOR PRODUCING THE COMPOSITION TOAGOSEI CO., LTD. (JP) 2016-01-21 US disclosed
US-8841284-B2 Compound having neurite-outgrowing activity LEAD CHEMICAL CO., LTD (JP) 2014-09-23 US disclosed
EP-2463292-B1 COMPOUND HAVING NEURITE-OUTGROWING ACTIVITY LEAD CHEM CO LTD (JP) 2014-08-27 EP disclosed
US-20130095166-A1 ADHESIVE COMPOSITION FOR MEDICAL USE, PATCH FOR MEDICAL USE, AND METHOD FOR PRODUCING THE COMPOSITION TOAGOSEI CO., LTD. (JP) 2013-04-18 US disclosed
US-8287900-B2 Medicated patch comprising 5-methyl-1-phenyl-2-(1H)-pyridone LEAD CHEMICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120190841-A1 COMPOUND HAVING NEURITE-OUTGROWING ACTIVITY LEAD CHEMICAL CO., LTD. (JP) 2012-07-26 US disclosed
EP-2463292-A1 COMPOUND HAVING NEURITE-OUTGROWING ACTIVITY Lead Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
EP-1559426-B1 PERCUTANEOUS ABSORPTION PREPARATIONS CONTAINING 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE LEAD CHEM CO LTD (JP) 2011-02-09 EP disclosed
EP-0962226-B1 EXTERNAL PREPARATIONS CONTAINING WATERCRESS EXTRACT TEIKOKU SEIYAKU KK (JP) 2008-01-23 EP disclosed
EP-1685837-A1 PERCUTANEOUS ABSORPTION TYPE CEREBRAL PROTECTIVE AGENT Lead Chemical Co. Ltd. (JP) 2006-08-02 EP disclosed
US-20050266062-A1 Percutaneous absorption preparation containing 3-methyl-1-phenyl-2-pyrazolin-5-one LEAD CH EMICAL CO., LTD. (JP) 2005-12-01 US disclosed
EP-1559426-A1 PERCUTANEOUS ABSORPTION PREPARATIONS CONTAINING 3-METHYL-1-PHENYL-2-PYRAZOLIN-5-ONE Lead Chemical Co. Ltd. (JP) 2005-08-03 EP disclosed
CN-1348367-A Transdermal absorption preparation containing oxybutynin LEAD CHEM CO LTD (JP) 2002-05-08 CN disclosed
EP-1174132-A1 PERCUTANEOUS ABSORPTION PREPARATIONS CONTAINING OXYBUTYNIN Lead Chemical Co. Ltd. (JP) 2002-01-23 EP disclosed
US-6299885-B1 HUMECTANT EFFECT AND ALSO CAPABLE OF REDUCING SKIN IRRITATION AND GIVING A COMFORTABLENESS OF USE EVEN IF CALEFACIENT IS BLENDED. TEIKOKU SEIYAKU CO., LTD. (JP) 2001-10-09 US disclosed
EP-0962226-A1 EXTERNAL PREPARATIONS CONTAINING WATERCRESS EXTRACT TEIKOKU SEIYAKU CO., LTD. (JP) 1999-12-08 EP disclosed
JP-H10316590-A TOPICAL NARCOTIC FOR EXTERNAL USE SHOWA DENKO KK 1998-12-02 JP disclosed