SCHEMBL1434089

SCHEMBL1434089

NCC(O)C([O])=O

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
SCHEMBL85839 0.73
SCHEMBL16312548 0.73
SCHEMBL3347615 0.73
SCHEMBL2650130 0.73
SCHEMBL12696702 0.73
SCHEMBL636305 0.73
Hydrochloric Acid SCHEMBL25302426 0.71
SCHEMBL19296416 0.71
Hydrochloric Acid SCHEMBL2651912 0.71
Hydrochloric Acid SCHEMBL2436911 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639577-B1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL MYERS SQUIBB CO (US) 2002-05-15 EP claimed
US-20010023255-A1 PHOSPHONOOXYMETHYL ETHERS OF TAXANE DERIVATIVES GOLIK JERZY (US) 2001-09-20 US claimed
EP-0604910-B1 Phosphonooxymethyl ethers of taxane derivatives BRISTOL MYERS SQUIBB CO (US) 2000-06-14 EP claimed
CN-1237580-A Phosphononooxymethyl ethers of taxame derivatives BRISTOL MYERS SQUIBB CO (US) 1999-12-08 CN claimed
EP-0639577-A1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-02-22 EP claimed
EP-0604910-A1 Phosphonooxymethyl ethers of taxane derivatives Bristol-Myers Squibb Company (US) 1994-07-06 EP claimed
JP-7002885-A None JP disclosed
JP-7149779-A None JP disclosed
US-8558019-B2 Thiolated paclitaxels for reaction with gold nanoparticles as drug delivery agents VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-10-15 US disclosed
US-20110144163-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS ZAHAV BIOSCIENCES LLC 2011-06-16 US disclosed
EP-1877403-B1 MONO-LYSINE SALTS OF AZOLE COMPOUNDS EISAI R&D MAN CO LTD (JP) 2011-03-30 EP disclosed
EP-2217063-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS Virginia Tech Intellectual Properties, Inc. (US) 2010-08-18 EP disclosed
WO-2009062138-A1 THIOLATED PACLITAXELS FOR REACTION WITH GOLD NANOPARTICLES AS DRUG DELIVERY AGENTS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-05-14 WO disclosed
CN-1237580-A Phosphononooxymethyl ethers of taxame derivatives BRISTOL MYERS SQUIBB CO (US) 1999-12-08 CN disclosed
CN-1174838-A Taxusane phosphonic oxygen methyl ether derivant BRISTOL MYERS SQUIBB CO (US) 1998-03-04 CN disclosed
US-5646176-A Phosphonooxymethyl ethers of taxane derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1997-07-08 US disclosed
JP-H07149779-A PHOSPHONOOXYMETHYL ETHER DERIVATIVE OF TAXANE BRISTOL MYERS SQUIBB CO 1995-06-13 JP disclosed
EP-0639577-A1 Phosphonooxymethyl or methylthiomethyl ethers of taxane derivatives as antitumor agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-02-22 EP disclosed
JP-H072885-A PHOSPHONOOXYMETHYL ETHER OF TAXANE DERIVATIVE BRISTOL MYERS SQUIBB CO 1995-01-06 JP disclosed
EP-0604910-A1 Phosphonooxymethyl ethers of taxane derivatives Bristol-Myers Squibb Company (US) 1994-07-06 EP disclosed