SCHEMBL7794574

SCHEMBL7794574

CC1(C)CC(CCCCNc2nc(NCCCCC3CC(C)(C)NC(C)(C)C3)nc(N(CCCN)CCN(CCCNc3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(N(CCCCC4CC(C)(C)NC(C)(C)C4)c4nc(NCCCCC5CC(C)(C)NC(C)(C)C5)nc(NCCCCC5CC(C)(C)NC(C)(C)C5)n4)n3)c3nc(NCCCCC4CC(C)(C)NC(C)(C)C4)nc(NCCCCC4CC(C)(C)NC(C)(C)C4)n3)n2)CC(C)(C)N1

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
SCHEMBL294894 0.90 SLC29A1 (0.32)
SCHEMBL4329680 0.86
SCHEMBL9402860 0.85
SCHEMBL9575343 0.83 SLC29A1 (0.37)
SCHEMBL9575437 0.83 SLC29A1 (0.36)
SCHEMBL9497036 0.82 SMN1; SMN2 (0.38)
SCHEMBL8789411 0.80
SCHEMBL9575159 0.80 CA1 (0.34)
SCHEMBL11250098 0.79 TSHR (0.33)
SCHEMBL9575468 0.79 CA1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576833-B1 Process for preparing hydrolytically stable trivalent phosphorus compounds and their use as stabilisers for thermoplastic materials CLARIANT GMBH (DE) 2001-03-07 EP disclosed