SCHEMBL29480722

SCHEMBL29480722

Nc1nccc(-c2cnn(-c3ccc(C(C4COC4)C(F)(F)F)cn3)c2)c1[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
SCHEMBL22736321 1.00 — —
SCHEMBL29567552 0.87 GRM4 (0.33) —
SCHEMBL22736069 0.87 GRM4 (0.33) —
SCHEMBL29480690 0.84 OGA (0.34) —
SCHEMBL29480704 0.82 — —
SCHEMBL22735928 0.81 GRM4 (0.33) —
SCHEMBL29480752 0.81 GRM4 (0.33) —
SCHEMBL22735769 0.81 EGLN1 (0.33) —
SCHEMBL22735946 0.80 GRM4 (0.31) —
SCHEMBL29480659 0.80 GRM4 (0.31) —

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-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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