⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2347789 | 0.91 | TSHR (0.32) | — | |
| Tert-Butanol SCHEMBL2149847 | 0.86 | THRB (0.35) | — | |
| SCHEMBL758893 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL5427 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL17742796 | 0.83 | — | — | |
| Water SCHEMBL28635166 | 0.82 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL28542014 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL22689331 | 0.82 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL18983394 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL9788267 | 0.80 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024073745-A1 | INHIBITORS OF EGFR OR HER2 AND METHODS OF USE | ARBELLA THERAPEUTICS, LLC (US) | 2024-04-04 | — | — | WO | disclosed |
| US-20230128167-A1 | OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF | MABPLEX INTERNATIONAL, LTD. (CN) | 2023-04-27 | — | — | US | disclosed |
| EP-4129978-A1 | NANOPARTICLES COMPRISING DRUG DIMERS, AND USE THEREOF | Therabest Co., Ltd. (KR) | 2023-02-08 | — | — | EP | disclosed |
| US-20210403718-A1 | Modified Indigo Compounds and Methods of Dyeing a Substrate Using a Modified Indigo Compound | THE H.D. LEE COMPANY, INC. (US) | 2021-12-30 | — | — | US | disclosed |
| EP-2864289-B1 | CYCLOPROPANECARBOXAMIDO-SUBSTITUTED AROMATIC COMPOUNDS AS ANTI-TUMOR AGENTS | CB THERAPEUTICS INC (KY) | 2018-04-11 | — | — | EP | disclosed |
| US-20180000788-A1 | CYCLIC UREAS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2018-01-04 | — | — | US | disclosed |
| EP-3066088-B1 | CYCLIC CARBONATE AZIDE | AKZO NOBEL CHEMICALS INT BV (NL) | 2017-12-06 | — | — | EP | disclosed |
| US-20160297834-A1 | ACC INHIBITORS AND USES THEREOF | GILEAD APOLLO, LLC | 2016-10-13 | — | — | US | disclosed |
| US-20160159791-A1 | COMPOUNDS AS MODULATORS OF RORC | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-06-09 | — | — | US | disclosed |
| US-8969557-B2 | ACC inhibitors and uses thereof | Nimbus Apollo, Inc. (US) | 2015-03-03 | — | — | US | disclosed |
| US-20140343053-A1 | TRIAZOLOPYRIDINONE PDE10 INHIBITORS | MERCK SHARPE & DOHME CORP. (US) | 2014-11-20 | — | — | US | disclosed |
| US-20130123231-A1 | ACC INHIBITORS AND USES THEREOF | Nimbus Apollo, Inc. (US) | 2013-05-16 | — | — | US | disclosed |
| US-20120108809-A1 | PROCESS FOR PREPARATION OF EFAVIRENZ | LUPIN LIMITED (IN) | 2012-05-03 | — | — | US | disclosed |
| EP-2223952-A1 | Adhesive formulations | Tyco Healthcare Group LP (US) | 2010-09-01 | — | — | EP | disclosed |