SCHEMBL16213503

SCHEMBL16213503

[2H]C([2H])([2H])C([2H])([2H])OP(OCCC#N)N(C(C)C)C(C)C

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
SCHEMBL383731 0.87 TSHR (0.32)
SCHEMBL4818972 0.85 TSHR (0.31)
SCHEMBL10158968 0.83
SCHEMBL15536699 0.82
SCHEMBL566248 0.80 TSHR (0.31)
SCHEMBL10030503 0.80 TSHR (0.35)
SCHEMBL2621446 0.80 TSHR (0.30)
SCHEMBL14136628 0.80 TSHR (0.30)
SCHEMBL16504168 0.80 TSHR (0.30)
SCHEMBL12587942 0.79

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
US-20160052946-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2016-02-25 US claimed
EP-2992334-B1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2018-06-27 EP disclosed
US-9784701-B2 Phosphatidylalkanols and compositions thereof Pethmark AB (SE) 2017-10-10 US disclosed
US-20170052132-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2017-02-23 US disclosed
US-9499572-B2 Phosphatidylalkanols and compositions thereof Pethmark AB (SE) 2016-11-22 US disclosed
EP-2992334-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF PEthmark AB (SE) 2016-03-09 EP disclosed
US-20160052946-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2016-02-25 US disclosed
WO-2014178787-A1 NOVEL PHOSPHATIDYLALKANOLS AND COMPOSITIONS THEREOF Pethmark AB (SE) 2014-11-06 WO disclosed