SCHEMBL7441389

SCHEMBL7441389

C1CCC(NC2CCCCC2)CC1.CC[C@H](C(=O)OC)N(CC(=O)O)C(=O)C(C)CS

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
SCHEMBL7441399 1.00
SCHEMBL7428270 0.91 SMN1; SMN2 (0.37)
SCHEMBL7428279 0.91 SMN1; SMN2 (0.37)
SCHEMBL7431710 0.87
SCHEMBL7429805 0.87
SCHEMBL7431715 0.87
SCHEMBL7429809 0.87
SCHEMBL7436361 0.85
SCHEMBL7436358 0.85
SCHEMBL7436467 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed