SCHEMBL9683543

SCHEMBL9683543

O=C(O)NCC[N+](=O)[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
SCHEMBL25233113 0.86 HIF1A (0.44)
SCHEMBL10901351 0.78
SCHEMBL9298861 0.74
Ammonia Solution, Strong SCHEMBL8980430 0.72
SCHEMBL4047411 0.71 CYP2D6 (0.45)
SCHEMBL4938940 0.70
SCHEMBL18420350 0.70 TDP1 (0.53)
SCHEMBL8846809 0.70 MEN1 (0.46)
SCHEMBL28136197 0.68 LMNA (0.31)
SCHEMBL31613206 0.68 CYP2D6 (0.43)

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-4341252-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. Hoffmann-La Roche AG (CH) 2024-03-27 EP disclosed
EP-0509795-A2 Carbamates of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-21 EP disclosed
US-5118678-A Antibody inhibitors, antiinflammatory agents, fungicides, antitumor agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-02 US disclosed