SCHEMBL9026344

SCHEMBL9026344

COc1c(CO)[nH]c(=O)c(CC(C)C)[n+]1[O-]

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
SCHEMBL9026846 0.79 FBP1 (0.31)
SCHEMBL9160957 0.76 SMN1; SMN2 (0.33)
SCHEMBL9471009 0.71 CREBBP (0.36)
SCHEMBL9025791 0.70 KMT2A (0.36)
SCHEMBL9687418 0.68 POLB (0.34)
SCHEMBL9687941 0.67 EZH2 (0.40)
SCHEMBL9687454 0.66 MEN1 (0.39)
SCHEMBL29581437 0.55
SCHEMBL19402606 0.52 TSHR (0.36)
SCHEMBL5587286 0.52 IDO1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed