⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8153868 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL21528306 | 0.67 | KDM4E (0.40) | — | |
| Sulfuric Acid SCHEMBL28112039 | 0.67 | KDM4E (0.39) | — | |
| SCHEMBL28449489 | 0.65 | KDM4E (0.33) | — | |
| SCHEMBL12914481 | 0.63 | — | — | |
| SCHEMBL29202325 | 0.63 | KDM4E (0.31) | — | |
| Thiourea SCHEMBL933625 | 0.63 | — | — | |
| SCHEMBL4982209 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL585350 | 0.61 | CA1 (0.33) | — | |
| Thiourea SCHEMBL28009945 | 0.61 | KDM4E (0.46) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3475272-A1 | PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER | The Regents of The University of California (US) | 2019-05-01 | — | — | EP | disclosed |
| WO-2017223516-A1 | PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-12-28 | — | — | WO | disclosed |