SCHEMBL21664595

SCHEMBL21664595

COC1CC(OCC2CC(OCCOC3CN(C(C)(C)CC(C)(C)N4CC(OCCCOCC5(COC6CC(OC(C)(C)C)C6)COC5)C4)C3)C2)C1

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
SCHEMBL21907046 0.96
SCHEMBL20128804 0.82
SCHEMBL20329980 0.81
SCHEMBL20231174 0.76
SCHEMBL20232145 0.75
SCHEMBL20233533 0.73
SCHEMBL20128815 0.70 ATM (0.32)
SCHEMBL20133323 0.69
SCHEMBL20133433 0.69 ATM (0.33)
SCHEMBL21933644 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 US disclosed
US-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 US disclosed