SCHEMBL4427913

SCHEMBL4427913

O=P(O)(O)CCCNO

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
SCHEMBL7880658 0.97 TYMS (0.55)
SCHEMBL11436532 0.90 TYMS (0.52)
SCHEMBL11441535 0.82
SCHEMBL388416 0.80
SCHEMBL5575266 0.79 S1PR2 (0.43)
SCHEMBL7880656 0.77 MMP1 (0.35)
SCHEMBL388415 0.76
SCHEMBL182326 0.75 TYMS (1.00)
SCHEMBL20235 0.75 TYMS (0.85)
SCHEMBL14210023 0.72 TYMS (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-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 US claimed
CN-105073757-B Dyeing process using a hair-dyeing precursor obtained from an iridoid, composition, precursor and device comprising such a precursor 莱雅公司 2019-12-17 CN disclosed
US-7638505-B2 Organophosphoric derivatives useful as anti-parasitic agents UNIVERSITEIT GENT (BE) 2009-12-29 US disclosed
US-20080312190-A1 Such as 3-(N-hydroxyacetamido)-1-(3,4-dichlorophenyl)propylphosphonic acid; Antimalaria agents UNIVERSITEIT GENT (BE) 2008-12-18 US disclosed
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO disclosed
US-20040082549-A1 Use of organophosphorus compounds for the therapeutic and prophylactic treatment of infections JOMAA HASSAN (DE) 2004-04-29 US disclosed
US-6680308-B1 ADMINISTERING N-(FORMYL OR ACETYL)-N-HYDROXYLAMINO)-ALKYLPHOSPHONIC ACID DERIVATIVE AS VIRICIDE, PARASITICIDE OR FUNGICIDE BIOAGENCY AG (DE) 2004-01-20 US disclosed
EP-1071409-B1 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS BIOAGENCY AG (DE) 2003-10-15 EP disclosed
WO-2002008235-A1 MEDICAMENT FOR ORAL APPLICATION, CONTAINING AMINOPROPYL PHOSPHONIC ACID ESTERS AS AN ACTIVE INGREDIENT JOMAA PHARMAKA GMBH (DE) 2002-01-31 WO disclosed
EP-1071409-A2 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS Jomaa, Hassan (DE) 2001-01-31 EP disclosed
WO-1999052515-A2 USE OF ORGANOPHOSPHORIC COMPOUNDS FOR THE THERAPEUTIC AND PREVENTATIVE TREATMENT OF INFECTIONS HASSAN JOMAA (DE) 1999-10-21 WO disclosed
US-4693742-A Herbicidal hydroxyamino phosphonic acids and derivatives ROHM AND HASS COMPANY (US) 1987-09-15 US disclosed
US-4206156-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-06-03 US disclosed
US-4182758-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-08 US disclosed