SCHEMBL6271173

SCHEMBL6271173

CNc1cnc(C=C(CNc2nc(C)c[nH]2)P2(=O)O[C@@H](C)[C@@H](C)O2)s1

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
SCHEMBL6271167 0.83
SCHEMBL6317591 0.66
SCHEMBL6317584 0.64
SCHEMBL6317849 0.60
SCHEMBL6270391 0.59
SCHEMBL6325561 0.59
SCHEMBL6258340 0.58
SCHEMBL6323542 0.58
SCHEMBL17327793 0.56
SCHEMBL25933921 0.53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005058330-A1 PHOSPHORUS CONTAINING COMPOUNDS USEFUL FOR THE REGULATION OF LDL AND LP(A) LEVELS QUATRX PHARMACEUTICALS CO. (US) 2005-06-30 WO claimed
EP-0663421-B1 Tyre tread prepared with a rubber composition UNIROYAL ENGLEBERT GMBH (DE) 1999-04-28 EP claimed
EP-3535302-B1 METHOD OF PRODUCING A MODIFIED DIENE-CONTAINING RUBBER, THE RUBBER AND A COMPOSITION BASED THEREON SIBUR HOLDING PUBLIC JOINT STOCK CO (RU) 2022-03-09 EP disclosed
US-11124590-B2 Method of producing a modified diene-containing rubber, the rubber and a composition based thereon Public Joint Stock Company “SIBUR Holding” (RU) 2021-09-21 US disclosed
US-20200262956-A1 METHOD OF PRODUCING A MODIFIED DIENE-CONTAINING RUBBER, THE RUBBER AND A COMPOSITION BASED THEREON PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2020-08-20 US disclosed
EP-3535302-A1 METHOD OF PRODUCING A MODIFIED DIENE-CONTAINING RUBBER, THE RUBBER AND A COMPOSITION BASED THEREON Public Joint Stock Company "Sibur Holding" (RU) 2019-09-11 EP disclosed
WO-2018016986-A1 A METHOD OF PRODUCING A RUBBER, A RUBBER COMPOSITION COMPRISING THE RUBBER OBTAINED BY SAID METHOD, AND ALSO USE OF THE RUBBER COMPOSITION PUBLIC JOINT STOCK COMPANY "SIBUR HOLDING" (RU) 2018-01-25 WO disclosed
US-6864310-B2 Process for manufacturing a tire compound PIRELLI PNEUMATICI S.P.A. (IT) 2005-03-08 US disclosed