⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16371728 | 0.79 | — | — | |
| SCHEMBL38650645 | 0.78 | TDP1 (0.37) | — | |
| SCHEMBL8447304 | 0.77 | — | — | |
| SCHEMBL8447303 | 0.77 | — | — | |
| SCHEMBL2888123 | 0.77 | — | — | |
| SCHEMBL30259177 | 0.77 | LMNA (0.31) | — | |
| SCHEMBL2605772 | 0.74 | CYP17A1 (0.36) | — | |
| SCHEMBL1132433 | 0.74 | — | — | |
| SCHEMBL24369237 | 0.74 | NPC1 (0.33) | — | |
| SCHEMBL8177019 | 0.74 | — | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108395408-B | Drug intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2021-03-09 | — | — | CN | claimed |
| CN-108395408-A | A kind of pharmaceutical intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2018-08-14 | — | — | CN | claimed |
| EP-3870577-B1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE UK NO 5 LTD (GB) | 2025-03-19 | — | — | EP | disclosed |
| US-20240383863-A1 | PREPARATION METHOD FOR PYRIMIDINE-2-AMINE | INSTITUTE FOR BASIC SCIENCE (KR) | 2024-11-21 | — | — | US | disclosed |
| US-20240343709-A1 | SUBSTITUTED HETEROCYCLES AS ALDEHYDE DEHYDROGENASE INHIBITORS | THE TRUSTEES OF PRINCETON UNIVERSITY | 2024-10-17 | — | — | US | disclosed |
| US-12054475-B2 | Substituted heterocycles as aldehyde dehydrogenase inhibitors | KAYOTHERA INC. (US) | 2024-08-06 | — | — | US | disclosed |
| US-20240132469-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | KAYOTHERA INC. (US) | 2024-04-25 | — | — | US | disclosed |
| CN-117897370-A | Heterocyclic compounds and their use | 凯悦施那有限公司 | 2024-04-16 | — | — | CN | disclosed |
| EP-4326696-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | Kayothera Inc. (US) | 2024-02-28 | — | — | EP | disclosed |
| EP-3601284-B1 | NAPHTHYRIDINES AS INHIBITORS OF HPK1 | HOFFMANN LA ROCHE (CH) | 2023-12-27 | — | — | EP | disclosed |
| US-20230109662-A1 | INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2023-04-06 | — | — | US | disclosed |
| WO-2017221092-A1 | TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF | NOVARTIS AG (CH) | 2017-12-28 | — | — | WO | disclosed |
| WO-2017221135-A1 | TROGER'S BASE-BASED MONOMERS, AND POLYMERS, METHODS OF MAKING AND USES THEREOF | KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) | 2017-12-28 | — | — | WO | disclosed |
| EP-3010914-B1 | INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2017-04-26 | — | — | EP | disclosed |
| US-9616053-B2 | Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-04-11 | — | — | US | disclosed |
| WO-2017025523-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2017-02-16 | — | — | WO | disclosed |
| EP-3010914-A1 | INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2016-04-27 | — | — | EP | disclosed |
| US-20160095844-A1 | INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2016-04-07 | — | — | US | disclosed |
| WO-2014202493-A1 | INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-12-24 | — | — | WO | disclosed |
| WO-2000063176-A2 | DISUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES AND FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-26 | — | — | WO | disclosed |