SCHEMBL2864455

SCHEMBL2864455

c1ccc2c(c1)NNN2

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
Pyrrole SCHEMBL29111114 0.85 FKBP5 (0.36)
SCHEMBL3907736 0.73 PDGFRA (0.52)
SCHEMBL5832160 0.73 CYP3A4 (0.36)
SCHEMBL29373390 0.67
SCHEMBL29369547 0.67 GAA (0.59)
SCHEMBL76607 0.67
SCHEMBL624418 0.67 GAA (0.59)
SCHEMBL2676730 0.67 GAA (0.59)
SCHEMBL1618358 0.67 MAOA (0.42)
SCHEMBL18690332 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP claimed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US claimed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US claimed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP claimed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 WO claimed
EP-1781246-B1 STABILIZED BODY CARE AND HOUSEHOLD PRODUCTS BASF SE (DE) 2015-12-23 EP claimed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 EP claimed
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-06 US claimed
CN-103140466-A Process for preparing compound by novel sandmeyer-like reaction using nitroxide radical compound as reaction catalyst DAIICHI SANKYO CO LTD 2013-06-05 CN claimed
EP-2197998-B1 PERSONAL CARE COMPOSITIONS COMPRISING DYE-POLYMER COMPLEXES BASF SE (DE) 2012-12-26 EP claimed
EP-2190966-B1 HOME AND FABRIC CARE COMPOSITIONS COMPRISING DYE-POLYMER COMPLEXES BASF SE (DE) 2012-12-26 EP claimed
EP-1499286-B1 STABILIZED BODY CARE PRODUCTS AND HOUSEHOLD PRODUCTS BASF SE (DE) 2010-04-07 EP claimed
EP-0938502-B1 SELECTIVE ACYLATION METHOD NOVO NORDISK AS (DK) 2004-10-06 EP claimed
EP-0420232-B1 Water soluble derivatives of glycoside bioflavonoids, processes for their preparation and related pharmaceutical compositions EUROP PHARMACY SRL (IT) 1997-03-26 EP claimed
US-3931022-A MINERAL OIL, HETEROCYCLIC ANTIOXIDANT, C(8-10)CARBOXYLIC ACID, TRICRESYL PHOSPHATE, ALKYLPHENOL TEXACO INC. (US) 1976-01-06 US claimed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
CN-115461338-B 3-azabicyclo (3.1.0) hexane derivatives having KDM5 inhibitory activity and uses thereof 小野药品工业株式会社 2024-02-20 CN disclosed
WO-1993014166-A1 CONJUGATED POLYMER PAINT FORMULATIONS WHICH PROVIDE CORROSION RESISTANCE TO METAL SURFACES ALLIED-SIGNAL INC. (US) 1993-07-22 WO disclosed
EP-0208576-A1 Macromolecular and hydrosuluble prodrugs, their preparation and their use as medicaments, especially antitumorous and antiparasitic ones CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1987-01-14 EP disclosed
WO-1984000033-A1 1,4-DIHYDRO-PYRIDINE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ AG (CH) 1984-01-05 WO disclosed