⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867084 | 0.83 | — | — | |
| Methoxymethane SCHEMBL10627012 | 0.79 | CHRM2 (0.31) | — | |
| SCHEMBL10697098 | 0.71 | — | — | |
| SCHEMBL1792611 | 0.71 | — | — | |
| SCHEMBL5077086 | 0.71 | — | — | |
| SCHEMBL846055 | 0.71 | — | — | |
| SCHEMBL13006245 | 0.69 | — | — | |
| SCHEMBL5953626 | 0.69 | — | — | |
| SCHEMBL9816172 | 0.69 | — | — | |
| SCHEMBL5075764 | 0.69 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4578860-A1 | CYCLOALKYNE DERIVATIVE | PeptiDream Inc. (JP) | 2025-07-02 | — | — | EP | disclosed |
| CN-120092006-A | Cycloalkyne derivatives | 肽梦想株式会社 | 2025-06-03 | — | — | CN | disclosed |
| CN-115427035-B | ENL/AF9 YEATS inhibitors | 洛克菲勒大学 | 2025-04-22 | — | — | CN | disclosed |
| WO-2024043341-A1 | CYCLOALKYNE DERIVATIVE | ペプチドリーム株式会社 | 2024-02-29 | — | — | WO | disclosed |
| US-20230027198-A1 | INHIBITORS OF ENL/AF9 YEATS | THE ROCKEFELLER UNIVERSITY | 2023-01-26 | — | — | US | disclosed |
| CN-115427035-A | ENL/AF9YEATS inhibitors | 洛克菲勒大学 | 2022-12-02 | — | — | CN | disclosed |
| EP-4076440-A1 | INHIBITORS OF ENL/AF9 YEATS | The Rockefeller University (US) | 2022-10-26 | — | — | EP | disclosed |
| WO-2021127166-A1 | INHIBITORS OF ENL/AF9 YEATS | THE ROCKEFELLER UNIVERSITY (US) | 2021-06-24 | — | — | WO | disclosed |
| EP-3318562-A2 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | Theracos Sub, LLC (US) | 2018-05-09 | — | — | EP | disclosed |
| US-8802637-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2014-08-12 | — | — | US | disclosed |
| US-20140031300-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2014-01-30 | — | — | US | disclosed |
| US-8575321-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20120329732-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2012-12-27 | — | — | US | disclosed |
| US-8106021-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20110207661-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2011-08-25 | — | — | US | disclosed |
| US-7838499-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2010-11-23 | — | — | US | disclosed |
| EP-2187742-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | Theracos, Inc. (US) | 2010-05-26 | — | — | EP | disclosed |
| US-20090118201-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOSBIO, LLC | 2009-05-07 | — | — | US | disclosed |
| WO-2009026537-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2009-02-26 | — | — | WO | disclosed |
| EP-0011608-A1 | Novel allenic amine and acid addition salts thereof, a process for their preparation, pharmaceutical preparations comprising them and the use of these compounds in the preparation of pharmaceutical compositions | Astra Läkemedel Aktiebolag (SE) | 1980-05-28 | — | — | EP | disclosed |