SCHEMBL1325616

SCHEMBL1325616

C1=CC2=NN2C=C1

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
SCHEMBL4493809 0.67
SCHEMBL209117 0.60
SCHEMBL18663893 0.58
SCHEMBL10760430 0.58
SCHEMBL17602988 0.57
SCHEMBL8438270 0.57
SCHEMBL21500439 0.50
Naphthalene SCHEMBL1272176 0.43 IDO1 (0.31)
SCHEMBL10993767 0.43
SCHEMBL300801 0.43 IDO1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002066041-A1 NATURAL COMPOSITION HERBAL DETOX THERAPY APS (DK) 2002-08-29 WO claimed
US-9220692-B2 Methods of reducing symptoms in subjects using single dosage forms with tapering release rates TEVA WOMEN'S HEALTH, INC. (US) 2015-12-29 US disclosed
EP-2133336-B1 MODIFIED METAL COMPLEXES AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-05-07 EP disclosed
US-8519131-B2 Modified metal complex and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-27 US disclosed
EP-2566877-A1 METHODS OF REDUCING SYMPTOMS IN SUBJECTS USING SINGLE DOSAGE FORMS WITH TAPERING RELEASE RATES Teva Women's Health, Inc. (US) 2013-03-13 EP disclosed
WO-2011140375-A1 METHODS OF REDUCING SYMPTOMS IN SUBJECTS USING SINGLE DOSAGE FORMS WITH TAPERING RELEASE RATES DILIBERTI CHARLES E (US) 2011-11-10 WO disclosed
US-20110274740-A1 METHODS OF REDUCING SYMPTOMS IN SUBJECTS USING SINGLE DOSAGE FORMS WITH TAPERING RELEASE RATES TEVA WOMEN'S HEALTH, INC. 2011-11-10 US disclosed
US-20100129698-A1 ELECTRODE CATALYST FOR FUEL CELL NATIONAL INSTITUTE OF ADVANCED SCIENCE AND TECHNOLOGY (JP) 2010-05-27 US disclosed
US-20100105909-A1 MODIFIED METAL COMPLEX AND USE THEREOF SUMITTO CHEMICAL COMPANY, LIMITED (JP) 2010-04-29 US disclosed
US-7681572-B2 Method and devices for administration of therapeutic gases AGA AB (SE) 2010-03-23 US disclosed
US-20050028816-A1 Methods for easing pain and anxiety from atrial or ventricular defibrillation AGA LINDE HEALTHCARE (SE) 2005-02-10 US disclosed
US-20040129270-A1 Method and devices for administration of therapeutic gases AGA LINDE HEALTHCARE (SE) 2004-07-08 US disclosed
WO-2004017889-A2 METHODS AND DEVICES FOR ADMINISTRATION OF THERAPEUTIC GASES AGA AB (SE) 2004-03-04 WO disclosed
WO-2004018011-A2 METHODS FOR EASING PAIN AND ANXIETY FROM ATRIAL OR VENTRICULAR DEFIBRILLATION AGA AB (SE) 2004-03-04 WO disclosed
WO-2002066041-A1 NATURAL COMPOSITION HERBAL DETOX THERAPY APS (DK) 2002-08-29 WO disclosed
EP-0730453-A4 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO INC (US) 1998-03-04 EP disclosed
US-5597818-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1997-01-28 US disclosed
EP-0730453-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5428031-A Benzodiazepine analogs; cardiovascular disorders MERCK & CO., INC. (US) 1995-06-27 US disclosed
WO-1995014470-A1 METHODS OF TREATING CARDIAC ARRHYTHMIA MERCK & CO., INC. (US) 1995-06-01 WO disclosed