⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1653 | 0.78 | ALDH1A1 (0.55) | — | |
| Hydrogen Sulfide SCHEMBL5079696 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL17178869 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL19611522 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL15506263 | 0.75 | ALDH1A1 (0.52) | — | |
| SCHEMBL5370459 | 0.72 | TDP1 (0.52) | — | |
| SCHEMBL622351 | 0.71 | — | — | |
| SCHEMBL4870227 | 0.71 | — | — | |
| SCHEMBL1506483 | 0.71 | — | — | |
| SCHEMBL774900 | 0.71 | — | — |
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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106470973-A | Small molecule lfa-1 inhibitors | 阿罗赛特制药公司 | 2017-03-01 | — | — | CN | claimed |
| WO-2015181799-A1 | COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS | FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) | 2015-12-03 | — | — | WO | claimed |
| EP-1021186-A1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha | CV THERAPEUTICS, INC. (US) | 2000-07-26 | — | — | EP | claimed |
| EP-1021186-A4 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha | CV THERAPEUTICS INC (US) | 2000-07-26 | — | — | EP | claimed |
| WO-1998005335-A9 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) | — | 1998-05-28 | — | — | WO | claimed |
| WO-1998005335-A1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IλB-$g(a) | CV THERAPEUTICS, INC. (US) | 1998-02-12 | — | — | WO | claimed |
| US-5387266-A | Detergent-dispersant additives for fuels and lubricants | ETHYL CORPORATION (US) | 1995-02-07 | — | — | US | claimed |
| US-4617401-A | ANTISPASMODIC AGENTS, VASODILATORS | SUNTORY LTD. (JP) | 1986-10-14 | — | — | US | claimed |
| US-4448715-A | Tagged pyroglu-L-Phe-L-Arg derivatives, substrates and assays for kallikrein | UNIVERSITY OF MIAMI (US) | 1984-05-15 | — | — | US | claimed |
| EP-0078703-A2 | New tagged pyroglu-l-phe-l-arg derivatives, substrates and assays for kallikrein | UNIVERSITY OF MIAMI (US) | 1983-05-11 | — | — | EP | claimed |
| EP-2516399-B1 | PHENOLIC DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF | GALDERMA RES & DEV (FR) | 2018-04-18 | — | — | EP | disclosed |
| EP-2516398-B1 | PHENOLIC DERIVATIVES, AND THEIR PHARMACEUTICAL OR COSMETIC USE | GALDERMA RES & DEV (FR) | 2018-03-21 | — | — | EP | disclosed |
| CN-106470973-A | Small molecule lfa-1 inhibitors | 阿罗赛特制药公司 | 2017-03-01 | — | — | CN | disclosed |
| WO-2015181799-A1 | COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS | FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) | 2015-12-03 | — | — | WO | disclosed |
| WO-2015181799-A1 | COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS | FOUNDATION FOR NEGLECTED DISEASE RESEARCH (IN) | 2015-12-03 | — | — | WO | disclosed |
| EP-0122321-A1 | Hydroxybenzylamino derivatives as anti-inflammatory agents | MERCK & CO. INC. (US) | 1984-10-24 | — | — | EP | disclosed |
| EP-0122321-A1 | Hydroxybenzylamino derivatives as anti-inflammatory agents | MERCK & CO. INC. (US) | 1984-10-24 | — | — | EP | disclosed |
| US-4448715-A | Tagged pyroglu-L-Phe-L-Arg derivatives, substrates and assays for kallikrein | UNIVERSITY OF MIAMI (US) | 1984-05-15 | — | — | US | disclosed |
| EP-0081782-A1 | Hydroxybenzylamino-aryl compounds, process for preparing and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1983-06-22 | — | — | EP | disclosed |
| EP-0078703-A2 | New tagged pyroglu-l-phe-l-arg derivatives, substrates and assays for kallikrein | UNIVERSITY OF MIAMI (US) | 1983-05-11 | — | — | EP | disclosed |