SCHEMBL28670759

SCHEMBL28670759

CC(C)(C)C1=C(OC(N)=O)C=CC=CN1

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
SCHEMBL28704840 0.74 — —
SCHEMBL28791654 0.65 — —
SCHEMBL28693634 0.64 — —
SCHEMBL27422026 0.61 MEN1 (0.32) —
SCHEMBL2067207 0.59 — —
SCHEMBL29062267 0.57 AURKA (0.31) —
SCHEMBL16962385 0.56 — —
SCHEMBL27522860 0.56 CA12 (0.33) —
SCHEMBL6535525 0.55 — —
SCHEMBL15200783 0.55 — —

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
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 — — CN disclosed
CN-114206861-A Fused heteroaryl compounds useful as RIPK1 inhibitors 比西切姆有限公司 2022-03-18 — — CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 — — CN disclosed
CN-113874079-A Bridged tricyclic carbamoylpyridone compounds and pharmaceutical use thereof 吉利德科学公司 2021-12-31 — — CN disclosed
Send feedback