⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL359932 | 1.00 | ALDH1A1 (0.31) | — | |
| SCHEMBL27512 | 1.00 | ALDH1A1 (0.31) | — | |
| SCHEMBL10435134 | 1.00 | ALDH1A1 (0.31) | — | |
| SCHEMBL138183 | 0.95 | ALDH1A1 (0.39) | — | |
| SCHEMBL22129635 | 0.95 | ALDH1A1 (0.39) | — | |
| Bromide SCHEMBL30533687 | 0.95 | — | — | |
| Water SCHEMBL30770120 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL6167947 | 0.95 | — | — | |
| SCHEMBL499430 | 0.94 | ALDH1A1 (0.33) | — | |
| SCHEMBL893278 | 0.91 | ALDH1A1 (0.36) | — |
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
Appears in 6478 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250212685-A1 | LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND | SAMSUNG DISPLAY CO., LTD. (KR) | 2025-06-26 | — | — | US | claimed |
| US-20250205258-A1 | DERIVATIVES OF BUFALIN AND THEIR PREPARATION METHODS, AS WELL AS COMPOSITIONS, PREPARATIONS, AND APPLICATIONS | SHANGHAI MEWSGEN BIOTECHNOLOGY CO LTD (CN) | 2025-06-26 | — | — | US | claimed |
| US-20250065312-A1 | MOLECULAR SIEVE, BORON ITQ-21, ITS SYNTHESIS AND USE | CHEVRON U.S.A. INC. (US) | 2025-02-27 | — | — | US | claimed |
| WO-2025042954-A1 | MOLECULAR SIEVE BORON ITQ-21, ITS SYNTHESIS AND USE | CHEVRON U.S.A. INC. (US) | 2025-02-27 | — | — | WO | claimed |
| EP-4417180-A2 | THERMO-ACTIVE COMPOSITE DENTAL COMPOSITION | VOCO GmbH (DE) | 2024-08-21 | — | — | EP | claimed |
| WO-2024131776-A1 | BUFALIN DERIVATIVE AND PREPARATION METHOD THEREFOR, COMPOSITION, PREPARATION, AND APPLICATION | 上海邈基生物科技有限公司 | 2024-06-27 | — | — | WO | claimed |
| EP-3810064-B1 | THERMOACTIVE DENTAL COMPOSITE COMPOSITION | VOCO GMBH (DE) | 2024-05-29 | — | — | EP | claimed |
| US-11944692-B2 | Thermoactive dental composite composition | VOCO GMBH (DE) | 2024-04-02 | — | — | US | claimed |
| CN-117024503-A | Bufotalin phosphate derivative, and pharmaceutical composition, preparation and application thereof | 上海邈基生物科技有限公司 | 2023-11-10 | — | — | CN | claimed |
| EP-3810064-A1 | THERMOACTIVE DENTAL COMPOSITE COMPOSITION | VOCO GmbH (DE) | 2021-04-28 | — | — | EP | claimed |
| EP-1218372-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2002-07-03 | — | — | EP | claimed |
| US-20020037442-A1 | Multiphase low dielectric constant material and method of deposition | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2002-03-28 | — | — | US | claimed |
| US-20020034625-A1 | Film comprising compound of silicon, carbon, oxygen and hydrogen atoms of undefined three dimensional structure; utilizes plasma enhanced chemical vapor deposition | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2002-03-21 | — | — | US | claimed |
| CN-1337953-A | Novel thyroid receptor ligands and method II | KAROBIO AB (SE) | 2002-02-27 | — | — | CN | claimed |
| WO-2002011204-A1 | MULTIPHASE LOW DIELECTRIC CONSTANT MATERIAL AND METHOD OF DEPOSITION | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2002-02-07 | — | — | WO | claimed |
| WO-2001019816-A1 | NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | claimed |
| WO-1998012156-A1 | COMBINATORIAL APPROACH FOR GENERATING NOVEL COORDINATION COMPLEXES | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1998-03-26 | — | — | WO | claimed |
| US-5618813-A | BACTERICIDES, ANTITUMOR AGENTS | ABBOTT LABORATORIES (US) | 1997-04-08 | — | — | US | claimed |
| US-5225207-A | Complexes derived from platinum, their preparation and the pharmaceutical compositions which contain them | LABORATOIRE ROGER BELLON (FR) | 1993-07-06 | — | — | US | claimed |
| US-4190460-A | Sulfur plasticization with olefins | SUNTECH, INC. (US) | 1980-02-26 | — | — | US | claimed |