⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30264944 | 1.00 | — | — | |
| SCHEMBL10801830 | 1.00 | — | — | |
| SCHEMBL21829879 | 1.00 | — | — | |
| SCHEMBL16689095 | 0.93 | — | — | |
| SCHEMBL16877748 | 0.93 | — | — | |
| SCHEMBL16878144 | 0.90 | — | — | |
| SCHEMBL4245681 | 0.88 | — | — | |
| SCHEMBL3169172 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL21339438 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL3169167 | 0.88 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11612606-B2 | 8-aminoisoquinoline compounds and uses thereof | GENENTECH, INC. (US) | 2023-03-28 | — | — | US | claimed |
| US-11612606-B2 | 8-aminoisoquinoline compounds and uses thereof | GENENTECH, INC. (US) | 2023-03-28 | — | — | US | disclosed |