⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22062971 | 0.83 | — | — | |
| SCHEMBL24854605 | 0.81 | PDK1 (0.33) | — | |
| SCHEMBL21733378 | 0.80 | CASP3 (0.36) | — | |
| SCHEMBL24176145 | 0.80 | CASP3 (0.36) | — | |
| SCHEMBL23957329 | 0.80 | CASP3 (0.36) | — | |
| SCHEMBL10273862 | 0.80 | CASP3 (0.36) | — | |
| SCHEMBL21733403 | 0.80 | CASP3 (0.36) | — | |
| SCHEMBL23158046 | 0.78 | NOS1 (0.30) | — | |
| SCHEMBL23158043 | 0.78 | NOS1 (0.30) | — | |
| SCHEMBL1396910 | 0.78 | CASP3 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11236068-B2 | Fused ring compounds | GENENTECH, INC. (US) | 2022-02-01 | — | — | US | disclosed |
| US-20210230142-A9 | FUSED RING COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-07-29 | — | — | US | disclosed |
| US-20200181118-A1 | FUSED RING COMPOUNDS | GENENTECH INC (US) | 2020-06-11 | — | — | US | disclosed |