SCHEMBL5554352

SCHEMBL5554352

CC=CCOC(=O)CC1(C(=O)O)CCCC(C)(C)O1

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
SCHEMBL7127146 0.82 GAA (0.40)
SCHEMBL5553336 0.82 GAA (0.40)
SCHEMBL13059598 0.79 KARS1 (0.32)
SCHEMBL1734564 0.79 KARS1 (0.32)
SCHEMBL5554373 0.75 CYP2D6 (0.36)
SCHEMBL3764731 0.75 CYP2C19 (0.38)
SCHEMBL19809987 0.75 CYP2C19 (0.38)
SCHEMBL5555360 0.75 CYP2C19 (0.38)
SCHEMBL5549643 0.71
SCHEMBL12153167 0.71 ATP1A1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285546-B2 Cephalotaxanes, their method of preparation and their use in treatment of cancers, leukemias, parasites including those resistant to usual chemotherapeutic agents and as reversal agents STRAGEN PHARMA S.A. (CH) 2007-10-23 US disclosed
EP-1328527-B1 CEPHALOTAXANES, THEIR METHOD OF PREPARATION AND THEIR USE IN TREATMENT OF CANCERS, LEUKEMIAS, PARASITES INCLUDING THOSE RESISTANT TO USUAL CHEMOTHERAPEUTIC AGENTS AND AS REVERSAL AGENTS STRAGEN PHARMA SA (CH) 2006-03-08 EP disclosed
US-20040006064-A1 Cephalotaxanes, their method of preparation and their use in treatment of cancers, leukemias, parasites including those resistant to usual chemotherapeutic agents and as reversal agents IVAX International GmbH (CH) 2004-01-08 US disclosed
EP-1328527-A1 CEPHALOTAXANES, THEIR METHOD OF PREPARATION AND THEIR USE IN TREATMENT OF CANCERS, LEUKEMIAS, PARASITES INCLUDING THOSE RESISTANT TO USUAL CHEMOTHERAPEUTIC AGENTS AND AS REVERSAL AGENTS Oncopharm Corporation (US) 2003-07-23 EP disclosed
WO-2002032904-A1 NEW CEPHALOTAXANES, THEIR METHOD OF PREPARATION AND THEIR USE IN TREATMENT OF CANCERS, LEUKEMIAS, PARASITES INCLUDING THUS RESISTANT TO USUAL CHEMOTHERAPEUTIC AGENTS AND AS REVERSAL AGENTS ONCOPHARM CORPORATION (FR) 2002-04-25 WO disclosed