⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12574191 | 0.87 | GNAI3 (0.51) | — | |
| SCHEMBL3935665 | 0.87 | GNAI3 (0.51) | — | |
| Hydrochloric Acid SCHEMBL2015550 | 0.86 | GNAI3 (0.54) | — | |
| Hydrochloric Acid SCHEMBL2015546 | 0.86 | GNAI3 (0.54) | — | |
| SCHEMBL30988142 | 0.84 | CHRNB2 (0.45) | — | |
| SCHEMBL3936020 | 0.84 | KDM4E (0.58) | — | |
| SCHEMBL29712309 | 0.84 | CHRNB2 (0.45) | — | |
| SCHEMBL2991035 | 0.83 | CHRNB2 (0.66) | — | |
| SCHEMBL6361129 | 0.82 | CHRNB2 (0.70) | — | |
| SCHEMBL1018964 | 0.82 | GNAI3 (0.64) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7999006-B2 | Anticancer agents; mitogen-activated protein kinases (MEK) | EXELIXIS, INC. (US) | 2011-08-16 | — | — | US | claimed |
| US-20250250232-A1 | AZETIDINE DERIVATIVES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2025-08-07 | — | — | US | disclosed |
| CN-115703765-B | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2025-02-28 | — | — | CN | disclosed |
| WO-2023097187-A1 | AMPK ACTIVATORS | KALLYOPE, INC. (US) | 2023-06-01 | — | — | WO | disclosed |
| WO-2023097187-A1 | AMPK ACTIVATORS | KALLYOPE, INC. (US) | 2023-06-01 | — | — | WO | disclosed |
| CN-115703765-A | Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof | 上海赛默罗生物科技有限公司 | 2023-02-17 | — | — | CN | disclosed |
| WO-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |
| US-20230049231-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D. E. SHAW RESEARCH, LLC | 2023-02-16 | — | — | US | disclosed |
| US-11147885-B2 | ASH1L inhibitors and methods of treatment therewith | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2021-10-19 | — | — | US | disclosed |
| WO-2021071832-A1 | ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS | D.E. SHAW RESEARCH, LLC (US) | 2021-04-15 | — | — | WO | disclosed |