SCHEMBL93503

SCHEMBL93503

O=P(Cl)(Cl)OCCBr

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
SCHEMBL10708258 0.83
SCHEMBL9179785 0.82 ALDH1A1 (0.33)
SCHEMBL9685526 0.81 TP53 (0.40)
SCHEMBL30946964 0.81 TP53 (0.56)
SCHEMBL11292820 0.79 TP53 (0.39)
SCHEMBL8674267 0.79 TP53 (0.39)
SCHEMBL9530571 0.79 TP53 (0.39)
SCHEMBL10597981 0.79 TP53 (0.39)
SCHEMBL699113 0.78
SCHEMBL2141473 0.75 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020025848-A1 ZWITTERIONIC COMPOUNDS OF 2-PHOSPHOCHOLINE CARBOXYLIC ACIDS AND THEIR USE AS CYTOTOXIC AGENTS UNIVERSIDAD DE ALICANTE (ES) 2020-02-06 WO claimed
US-20170210775-A1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS, INC. 2017-07-27 US claimed
US-9637515-B2 Guggulphospholipid methods and compositions JINA PHARMACEUTICALS, INC. (US) 2017-05-02 US claimed
EP-2088865-B1 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC (US) 2015-10-21 EP claimed
US-20100151002-A1 Guggulphospholipid Methods and Compositions JINA PHARMACEUTICALS, INC. (US) 2010-06-17 US claimed
EP-2088865-A2 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS Jina Pharmaceuticals Inc. (US) 2009-08-19 EP claimed
US-20090202816-A1 STABILIZED SILICA COLLOID FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-08-13 US claimed
WO-2008058156-A9 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC (US) 2008-12-04 WO claimed
WO-2008058156-A2 GUGGULPHOSPHOLIPID METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC. (US) 2008-05-15 WO claimed
WO-2007146680-A1 STABILIZED SILICA COLLOID FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION , INC. (US) 2007-12-21 WO claimed
US-5811568-A PHOSPHORYLATION SHAMAN PHARMACEUTICALS, INC. (US) 1998-09-22 US claimed
WO-1995029923-A1 PROCESS FOR THE PREPARATION OF MONO- AND BIS(PHOSPHOCHOLINE) DERIVATIVES WHICH HAVE ANTIFUNGAL ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1995-11-09 WO claimed
EP-0043472-B1 3-HYDROCARBYLTHIO-2-ACYLOXYPROPYL 2-TRIMETHYLAMMONIOETHYL PHOSPHATES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME A. Nattermann & Cie. GmbH (DE) 1983-07-20 EP claimed
EP-0043472-A1 3-Hydrocarbylthio-2-acyloxypropyl 2-trimethylammonioethyl phosphates, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1982-01-13 EP claimed
US-4163748-A Propane-1,3-diol phosphatides and method of preparing the same MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 1979-08-07 US claimed
JP-58164596-A None JP disclosed
JP-58144394-A None JP disclosed
US-3960905-A Diacylglycerophosphoric acid esters of aminoethanol and methylaminoethanol and method of preparing the same MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DT) 1976-06-01 US disclosed
US-3940423-A SURFACTANTS, EMULSIFIERS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DT) 1976-02-24 US disclosed
US-3940423-A SURFACTANTS, EMULSIFIERS MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DT) 1976-02-24 US disclosed