⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2523938 | 0.84 | — | — | |
| SCHEMBL10763167 | 0.80 | — | — | |
| SCHEMBL14151455 | 0.80 | — | — | |
| Pyrogallol SCHEMBL170157 | 0.69 | ALDH1A1 (1.00) | — | |
| Pyrogallol SCHEMBL3532 | 0.69 | — | — | |
| Catechol SCHEMBL7608484 | 0.69 | ALDH1A1 (0.83) | — | |
| SCHEMBL5918581 | 0.69 | ALOX15 (0.60) | — | |
| Pyrogallol SCHEMBL483095 | 0.69 | ALDH1A1 (0.80) | — | |
| SCHEMBL26070 | 0.69 | — | — | |
| SCHEMBL29432214 | 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118206481-A | Right-embedded alcohol or fenchyl alcohol ester derivatives of 2-hydroxy nicotinic acid and pharmaceutical application thereof | 苏州南医大创新中心 | 2024-06-18 | — | — | CN | disclosed |
| WO-2021061665-A1 | INTEGRIN AGONIST PRODRUGS | GB006, INC. (US) | 2021-04-01 | — | — | WO | disclosed |
| CN-104972724-B | Matte PET release film | 江苏斯迪克新材料科技股份有限公司 | 2017-05-03 | — | — | CN | disclosed |
| US-8080565-B2 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-20090023777-A1 | Substituted 4-amino-benzylpiperidine compounds | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-01-22 | — | — | US | disclosed |
| US-7368463-B2 | Substituted 4-amino-1-benzylpiperidine compounds | THERAVANCE, INC. (US) | 2008-05-06 | — | — | US | disclosed |
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| US-20060241132-A1 | Spiro derivatives and adhesion molecule inhibitors comprising the same as active ingredient | TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) | 2006-10-26 | — | — | US | disclosed |
| EP-1329451-B1 | SPIRO COMPOUNDS AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | TORAY INDUSTRIES (JP) | 2006-08-23 | — | — | EP | disclosed |
| CN-1247577-C | Spiro compounds and adhesion molecule inhibitors containing the same as the active ingredient | TORAY INDUSTRIES (JP) | 2006-03-29 | — | — | CN | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-20020107272-A1 | Anti-HIV imidazolone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | US | disclosed |
| WO-2002042279-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |
| EP-0460679-B1 | Endothelin antagonistic peptide derivatives | BANYU PHARMA CO LTD (JP) | 1998-10-28 | — | — | EP | disclosed |
| US-5691315-A | CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| CN-1133563-A | Novel tripeptides useful in immune and Central Nervous System (CNS) therapy | IMMUNOBIOLOGY RES INST INC (US) | 1996-10-16 | — | — | CN | disclosed |
| US-5470833-A | Vasodilators, bronchodilators | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-11-28 | — | — | US | disclosed |
| US-5444152-A | Vasolidator or bronchodilator | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-08-22 | — | — | US | disclosed |
| EP-0460679-A2 | Endothelin antagonistic peptide derivatives | Banyu Pharmaceutical Co., Ltd. (JP) | 1991-12-11 | — | — | EP | disclosed |