⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6318221 | 1.00 | — | — | |
| SCHEMBL20240632 | 1.00 | — | — | |
| SCHEMBL22076302 | 0.84 | — | — | |
| SCHEMBL2540097 | 0.78 | — | — | |
| SCHEMBL10296581 | 0.76 | — | — | |
| SCHEMBL5411861 | 0.71 | — | — | |
| SCHEMBL2044677 | 0.71 | — | — | |
| SCHEMBL22115414 | 0.67 | — | — | |
| SCHEMBL20782384 | 0.65 | CYP2C9 (0.35) | — | |
| SCHEMBL92622 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240150362-A1 | Substituted Pyrrolotriazines | MOLECURE S.A. (PL) | 2024-05-09 | — | — | US | claimed |
| WO-2024042494-A1 | SUBSTITUTED PYRROLOTRIAZINES | MOLECURE SA (PL) | 2024-02-29 | — | — | WO | claimed |
| US-20240150362-A1 | Substituted Pyrrolotriazines | MOLECURE S.A. (PL) | 2024-05-09 | — | — | US | disclosed |
| WO-2024042494-A1 | SUBSTITUTED PYRROLOTRIAZINES | MOLECURE SA (PL) | 2024-02-29 | — | — | WO | disclosed |
| WO-2018103058-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE | JANSSEN PHARMACEUTICA NV (BE) | 2018-06-14 | — | — | WO | disclosed |