⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL18837989 | 0.77 | — | — | |
| Ethane SCHEMBL5590416 | 0.77 | — | — | |
| Fluoromethane SCHEMBL28011400 | 0.77 | — | — | |
| SCHEMBL63222 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL384629 | 0.76 | — | — | |
| SCHEMBL16047646 | 0.76 | — | — | |
| SCHEMBL63026 | 0.76 | — | — | |
| SCHEMBL7107352 | 0.76 | — | — | |
| SCHEMBL5132904 | 0.76 | — | — | |
| SCHEMBL6216 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1994021654-A1 | PROCESS FOR PREPARING SUGAR ACETALS | CHEMPROSA HOLDING AG (AT) | 1994-09-29 | — | — | WO | claimed |
| EP-4610260-A1 | ARYL HETEROCYCLIC KV1.3 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | Shanghai Shenshi Wise Technology Co., Ltd. (CN) | 2025-09-03 | — | — | EP | disclosed |
| WO-2024088343-A1 | ARYL HETEROCYCLIC KV1.3 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海深势唯思科技有限责任公司 | 2024-05-02 | — | — | WO | disclosed |
| CN-114835645-A | Preparation method of 6-chloro-2-methyl-2H-indazole-5-amine | 上海昊泓生物科技有限公司 | 2022-08-02 | — | — | CN | disclosed |
| WO-2016113205-A1 | SUBSTITUTED PENTAFLUOROETHYL PYRIMIDINONES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-07-21 | — | — | WO | disclosed |
| US-8541407-B2 | Substituted benzo-pyrido-triazolo-diazepine compounds | ARQULE, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| EP-2483278-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011123678-A2 | SUBSTITUTED BENZO-PYRIDO-TRIAZOLO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2011-10-06 | — | — | WO | disclosed |
| US-20110245236-A1 | Substituted Benzo-Pyrido-Triazolo-Diazepine Compounds | ARQULE, INC. (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2011036280-A1 | BENZOXAZEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |
| EP-2126020-A1 | HYDROPHOBICALLY MODIFIED POLYALKYLENIMINES FOR USE AS DYE TRANSFER INHIBITORS | BASF SE (DE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008077952-A1 | HYDROPHOBICALLY MODIFIED POLYALKYLENIMINES FOR USE AS DYE TRANSFER INHIBITORS | BASF SE (DE) | 2008-07-03 | — | — | WO | disclosed |
| US-4025548-A | COATINGS | THE O'BRIEN CORPORATION (US) | 1977-05-24 | — | — | US | disclosed |