⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24175819 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL21183694 | 0.73 | — | — | |
| SCHEMBL20172401 | 0.67 | — | — | |
| SCHEMBL24267972 | 0.67 | — | — | |
| SCHEMBL28128205 | 0.63 | — | — | |
| SCHEMBL7915843 | 0.62 | — | — | |
| SCHEMBL6142084 | 0.62 | — | — | |
| SCHEMBL21205701 | 0.62 | — | — | |
| SCHEMBL19150530 | 0.62 | — | — | |
| SCHEMBL10430049 | 0.62 | — | — |
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-10183009-B2 | Therapeutic compounds and uses thereof | GENENTECH, INC. (US) | 2019-01-22 | — | — | US | disclosed |
| US-20170340605-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2017-11-30 | — | — | US | disclosed |