SCHEMBL27159197

SCHEMBL27159197

c1ncc2c(n1)O[C@@H]1CN[C@H]2C1

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
Bromide SCHEMBL7019757 0.57 — —
Hydrochloric Acid SCHEMBL1300445 0.57 — —
SCHEMBL29588443 0.57 — —
Hydrochloric Acid SCHEMBL1166676 0.56 — —
SCHEMBL3394905 0.53 MKNK1 (0.36) —
SCHEMBL25259343 0.53 CHRNB2 (0.35) —
SCHEMBL1190111 0.53 GRM5 (0.36) —
SCHEMBL8221928 0.53 — —
SCHEMBL30672210 0.53 MKNK1 (0.36) —
SCHEMBL29588561 0.53 MKNK2 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
US-20240228506-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
EP-4329766-A1 RIPK1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-03-06 — — EP disclosed
WO-2022231928-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2022-11-03 — — WO disclosed
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