SCHEMBL21624121

SCHEMBL21624121

CC1(C)Nc2cc(F)cc(C(F)F)c2NC1=S

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
SCHEMBL21624193 0.83 TGM2 (0.33) —
SCHEMBL21624096 0.81 MOGAT2 (0.31) —
SCHEMBL21624008 0.79 — —
SCHEMBL21624058 0.78 — —
SCHEMBL21624021 0.78 IDO1 (0.31) —
SCHEMBL21624182 0.75 AR (0.31) —
SCHEMBL21624207 0.75 — —
SCHEMBL21624000 0.73 — —
SCHEMBL21624343 0.70 — —
SCHEMBL21624144 0.67 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110293-B2 Substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-10-08 — — US disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
CN-112673009-B Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 — — US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 — — EP disclosed
EP-3823971-B1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-07-27 — — EP disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 — — WO disclosed
EP-3823971-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-05-26 — — EP disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 — — US disclosed
US-20210139488-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünethal GmbH (DE) 2021-05-13 — — US disclosed
CN-112673009-A Substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2021-04-16 — — CN disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
WO-2020016453-A1 SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2020-01-23 — — WO disclosed
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