⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28300141 | 1.00 | — | — | |
| SCHEMBL10438200 | 0.97 | ALDH1A1 (0.35) | — | |
| SCHEMBL539285 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL5417805 | 0.82 | — | — | |
| SCHEMBL11207008 | 0.82 | — | — | |
| SCHEMBL539091 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL9059955 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL8339136 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL2939225 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL10425263 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4081299-B1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2024-09-25 | — | — | EP | disclosed |
| US-20230192646-A1 | DIHYDRO-CYCLOPENTA-ISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2023-06-22 | — | — | US | disclosed |
| EP-3515919-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | Bayer Aktiengesellschaft (DE) | 2019-07-31 | — | — | EP | disclosed |
| WO-2018054846-A1 | N3-CYCLICALLY SUBSTITUTED THIENOURACILES AND USE THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-03-29 | — | — | WO | disclosed |