SCHEMBL25699676

SCHEMBL25699676

Cc1nc(NC(C)(C)CC(C)(C)C)nc(N(CCCCCCN(C)C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)C(N)C(C)(C)C2)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
SCHEMBL1626160 0.94
SCHEMBL13870193 0.94
SCHEMBL10013124 0.93
SCHEMBL14523160 0.84
SCHEMBL13624576 0.83 SLC2A1 (0.32)
SCHEMBL12201042 0.82
SCHEMBL25575307 0.82
SCHEMBL13298053 0.82
SCHEMBL12722334 0.81 SLC2A1 (0.32)
SCHEMBL13800613 0.81

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
US-20230174746-A1 ADDITIVE COMPOSITION AND USE THEREOF, CONDENSATION POLYMER COMPOSITION, MOLDING COMPOUND AND MOLDING COMPOUNDS PRODUCED THEREFROM, AND MOLDED PARTS AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-06-08 US disclosed