⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3813522 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL30705423 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL27922651 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL4531143 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL2015479 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL1025679 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL375389 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL1362836 | 1.00 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.95 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.95 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113288892-A | Application of poly ADP ribose polymerase inhibitor in resisting coronavirus | 甫康（上海）健康科技有限责任公司 | 2021-08-24 | — | — | CN | claimed |
| CN-113288892-B | Use of poly ADP-ribose polymerase inhibitors against coronaviruses | 甫康（上海）健康科技有限责任公司 | 2024-04-26 | — | — | CN | disclosed |
| CN-113288892-A | Application of poly ADP ribose polymerase inhibitor in resisting coronavirus | 甫康（上海）健康科技有限责任公司 | 2021-08-24 | — | — | CN | disclosed |
| US-20210221784-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | UNIVERSITÉ DE STRASBOURG (FR) | 2021-07-22 | — | — | US | disclosed |
| US-20210115003-A1 | NOVEL FULLY SYNTHETIC AND SEMISYNTHETIC PLEUROMUTILIN DERIVATIVES AS NEW ANTIBIOTICS AND THEIR PREPARATION | YALE UNIVERSITY (US) | 2021-04-22 | — | — | US | disclosed |
| WO-2020083089-A1 | COMPOUND OF 5- OR 6-MEMBERED HETEROCYCLIC PYRIMIDINES AND USE THEREOF | 罗欣药业(上海)有限公司 | 2020-04-30 | — | — | WO | disclosed |
| WO-2019191547-A1 | NOVEL FULLY SYNTHETIC AND SEMISYNTHETIC PLEUROMUTILIN DERIVATIVES AS NEW ANTIBIOTICS AND THEIR PREPARATION | YALE UNIVERSITY (US) | 2019-10-03 | — | — | WO | disclosed |
| US-20130310340-A1 | METHOD OF TREATING MUSCULAR DEGRADATION | RIGEL PHARMACEUTICALS, INC. (US) | 2013-11-21 | — | — | US | disclosed |
| CN-103119694-A | Removal of masking material | ADVANCED TECH MATERIALS | 2013-05-22 | — | — | CN | disclosed |
| EP-1910359-A1 | PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | F. Hoffmann-Roche AG (CH) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009911-A1 | PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-25 | — | — | WO | disclosed |
| US-5182039-A | Separation of silicate impurities while suppressing froth | EXXON CHEMICAL PATENTS, INC. (US) | 1993-01-26 | — | — | US | disclosed |