⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30500141 | 1.00 | — | — | |
| Formaldehyde SCHEMBL28044171 | 0.93 | SIRT3 (0.44) | — | |
| SCHEMBL2425486 | 0.79 | — | — | |
| SCHEMBL29470901 | 0.75 | — | — | |
| SCHEMBL3717170 | 0.75 | — | — | |
| SCHEMBL29518741 | 0.75 | — | — | |
| SCHEMBL64272 | 0.75 | — | — | |
| SCHEMBL5668716 | 0.75 | SIRT3 (0.48) | — | |
| SCHEMBL25811621 | 0.73 | LOXL2 (0.42) | — | |
| Hydrochloric Acid SCHEMBL28967061 | 0.72 | SIRT3 (0.46) | — |
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 678 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108822135-B | Synthesis method of nitrogen heterocyclic ring substituted thieno [3, 2-d ] thiazole and derivatives thereof | 湘潭大学 | 2021-02-02 | — | — | CN | claimed |
| US-9969716-B2 | Indole derivatives as modulators of methyl modifying enzymes, compositions and uses thereof | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2018-05-15 | — | — | US | claimed |
| US-20160185757-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2016-06-30 | — | — | US | claimed |
| EP-3033334-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | Constellation Pharmaceuticals, Inc. (US) | 2016-06-22 | — | — | EP | claimed |
| WO-2015023915-A1 | INDOLE DERIVATIVES AS MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2015-02-19 | — | — | WO | claimed |
| US-20260070892-A1 | FUNCTIONALIZED AMINOTRIAZINES | LEADXPRO AG (CH) | 2026-03-12 | — | — | US | disclosed |
| US-20260048151-A1 | HEMICYANINE PUSH-PULL DYES BASED ON CHROMENE ELECTRON DONORS | UNIV CONNECTICUT (US) | 2026-02-19 | — | — | US | disclosed |
| US-12528784-B2 | Alkynyl-(heteroaryl)-carboxamide HCN1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2026-01-20 | — | — | US | disclosed |
| US-12391670-B2 | Functionalized aminotriazines | LEADXPRO AG (CH) | 2025-08-19 | — | — | US | disclosed |
| US-20250179299-A1 | DYES FOR MONITORING CELL STATES | SAGUARO TECHNOLOGIES INC. (CA) | 2025-06-05 | — | — | US | disclosed |
| EP-4562001-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS | Nura Bio, Inc. (US) | 2025-06-04 | — | — | EP | disclosed |
| US-20250101013-A1 | FUNCTIONALIZED AMINOTHIAZOLES | LEADXPRO AG (CH) | 2025-03-27 | — | — | US | disclosed |
| EP-1189899-B1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO INC (US) | 2003-02-12 | — | — | EP | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-6455532-B1 | ANTICOAGULANTS | MERCK & CO., INC. | 2002-09-24 | — | — | US | disclosed |
| CN-1353705-A | Pyrazinone thrombin inhibitors | MERCK & CO INC (US) | 2002-06-12 | — | — | CN | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |
| EP-1189899-A1 | PYRAZINONE THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2002-03-27 | — | — | EP | disclosed |
| WO-2000075134-A1 | PYRAZINONE THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-12-14 | — | — | WO | disclosed |
| US-4022897-A | 4H-PYRIDO(1,2-A) PYRIMIDIN-4-ONE DERIVATIVES | E. R. SQUIBB & SONS, INC. (US) | 1977-05-10 | — | — | US | disclosed |