⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4598144 | 0.80 | — | — | |
| SCHEMBL4474143 | 0.80 | — | — | |
| SCHEMBL4076197 | 0.80 | — | — | |
| SCHEMBL8002713 | 0.80 | — | — | |
| SCHEMBL3861417 | 0.77 | — | — | |
| SCHEMBL8342991 | 0.77 | PYCR1 (0.32) | — | |
| SCHEMBL41777 | 0.76 | — | — | |
| SCHEMBL9787772 | 0.76 | — | — | |
| SCHEMBL5478924 | 0.76 | CYP1A2 (0.39) | — | |
| SCHEMBL2305368 | 0.76 | CYP1A2 (0.39) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021130262-A1 | TETRAHYDROBENZO-QUINOLINE SULFONAMIDES DERIVATIVE COMPOUNDS | UCB Biopharma SRL (BE) | 2021-07-01 | — | — | WO | disclosed |
| US-9988397-B2 | ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-06-05 | — | — | US | disclosed |
| US-20170267695-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-09-21 | — | — | US | disclosed |
| EP-3182479-A1 | CONJUGATED POLYMER FOR ORGANIC ELECTROLUMINESCENCE ELEMENT | Mitsubishi Chemical Corporation (JP) | 2017-06-21 | — | — | EP | disclosed |
| US-8304451-B2 | Histone deacetylase and tubulin deacetylase inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-11-06 | — | — | US | disclosed |
| US-8304451-B2 | Histone deacetylase and tubulin deacetylase inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-11-06 | — | — | US | disclosed |
| US-20090209590-A1 | Histone Deacetylase and Tubulin Deacetylase Inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2009-08-20 | — | — | US | disclosed |
| US-20090209590-A1 | Histone Deacetylase and Tubulin Deacetylase Inhibitors | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2009-08-20 | — | — | US | disclosed |