⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12083941 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL1644186 | 0.67 | ALDH1A1 (0.32) | — | |
| Formic Acid SCHEMBL9112408 | 0.67 | CYP2D6 (0.31) | — | |
| SCHEMBL7718758 | 0.65 | POLB (0.38) | — | |
| Formic Acid SCHEMBL1769951 | 0.64 | — | — | |
| Pivalate SCHEMBL27325303 | 0.64 | TSHR (0.47) | — | |
| Formic Acid SCHEMBL17064300 | 0.63 | NPSR1 (0.34) | — | |
| Bicarbonate SCHEMBL10734038 | 0.62 | ALDH1A1 (0.37) | — | |
| Formic Acid SCHEMBL2308531 | 0.62 | TSHR (0.73) | — | |
| Bicarbonate SCHEMBL10734019 | 0.62 | ALDH1A1 (0.37) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11565994-B2 | Inhibitors of histone lysine specific demethylase (LSD1) and histone deacetylases (HDACS) | THE JOHNS HOPKINS UNIVERSITY (US) | 2023-01-31 | — | — | US | disclosed |
| US-20210009511-A1 | INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) | THE JOHNS HOPKINS UNIVERSITY | 2021-01-14 | — | — | US | disclosed |
| CN-106458856-A | Inhibitors of histone lysine specific demethylase (lsd1) and histone deacetylases (hdacs) | 约翰霍普金斯大学 | 2017-02-22 | — | — | CN | disclosed |
| US-20170029366-A1 | INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) | THE JOHNS HOPKINS UNIVERSITY (US) | 2017-02-02 | — | — | US | disclosed |
| EP-3114109-A1 | INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) | The Johns Hopkins University (US) | 2017-01-11 | — | — | EP | disclosed |
| WO-2015134973-A1 | INHIBITORS OF HISTONE LYSINE SPECIFIC DEMETHYLASE (LSD1) AND HISTONE DEACETYLASES (HDACS) | THE JOHNS HOPKINS UNIVERSITY (US) | 2015-09-11 | — | — | WO | disclosed |
| EP-1606280-A4 | TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-12-24 | — | — | EP | disclosed |
| US-7393844-B2 | Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2008-07-01 | — | — | US | disclosed |
| US-7192948-B2 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-03-20 | — | — | US | disclosed |
| EP-1753767-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005118589-A1 | BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-15 | — | — | WO | disclosed |
| US-20050267132-A1 | Bicyclic heterocycles as HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2005-12-01 | — | — | US | disclosed |
| US-20050096360-A1 | Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment of diseases | LA JOLLA PHARMACEUTICALS COMPANY | 2005-05-05 | — | — | US | disclosed |
| WO-2005014530-A2 | INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT OF DISEASES | LA JOLLA PHARMACEUTICAL CO. (US) | 2005-02-17 | — | — | WO | disclosed |
| EP-1427727-B1 | COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES | PROCTER & GAMBLE (US) | 2005-01-26 | — | — | EP | disclosed |
| US-6821971-B2 | FOR PROPHYALXIS OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, INFLAMMATORY BOWEL DISEASE (IBS), SEPTIC SHOCK, CARDIOPULMONARY DYSFUNCTION, ACUTE RESPIRATORY DISEASE, CACHEXIA | THE PROCTER & GAMBLE COMPANY | 2004-11-23 | — | — | US | disclosed |
| WO-2004082616-A2 | TETRAHYDROPYRANYL CYCLOPENTYL HETEROCYLIC AMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO. INC. (US) | 2004-09-30 | — | — | WO | disclosed |
| EP-1427727-A1 | COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES | THE PROCTER & GAMBLE COMPANY (US) | 2004-06-16 | — | — | EP | disclosed |
| US-20030105084-A1 | Compound which inhibit the release of inflammatory cytokines | THE PROCTER & GAMBLE COMPANY | 2003-06-05 | — | — | US | disclosed |
| WO-2003024970-A1 | COMPOUNDS WHICH INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES | THE PROCTER & GAMBLE COMPANY (US) | 2003-03-27 | — | — | WO | disclosed |