⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7433293 | 0.66 | CDC7 (0.33) | — | |
| SCHEMBL3125735 | 0.63 | PARP1 (0.33) | — | |
| SCHEMBL6577357 | 0.62 | POLB (0.33) | — | |
| SCHEMBL11434530 | 0.53 | GABRR1 (0.35) | — | |
| SCHEMBL8283307 | 0.53 | — | — | |
| SCHEMBL10449035 | 0.53 | MAPT (0.38) | — | |
| SCHEMBL7263753 | 0.52 | NNMT (0.33) | — | |
| SCHEMBL813186 | 0.50 | MEN1 (0.46) | — | |
| SCHEMBL9246100 | 0.49 | CYP2C9 (0.32) | — | |
| SCHEMBL2674256 | 0.46 | GRM4 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016161571-A1 | INDAZOLE AND AZAINDAZOLE BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-13 | — | — | WO | claimed |
| WO-2016161571-A1 | INDAZOLE AND AZAINDAZOLE BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2011097600-A1 | SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY | THE WISTAR INSTITUTE (US) | 2011-08-11 | — | — | WO | disclosed |
| EP-1409476-A1 | PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY | ELI LILLY AND COMPANY (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2003006455-A1 | PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY | ELI LILLY AND COMPANY (US) | 2003-01-23 | — | — | WO | disclosed |