⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7414624 | 0.79 | — | — | |
| SCHEMBL1353374 | 0.77 | — | — | |
| SCHEMBL18534525 | 0.77 | — | — | |
| SCHEMBL18393321 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7463129 | 0.76 | — | — | |
| SCHEMBL930387 | 0.70 | — | — | |
| SCHEMBL56103 | 0.70 | — | — | |
| SCHEMBL7950185 | 0.70 | — | — | |
| SCHEMBL14985248 | 0.70 | — | — | |
| SCHEMBL15704736 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | disclosed |