⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20054198 | 1.00 | — | — | |
| SCHEMBL31178563 | 0.92 | — | — | |
| SCHEMBL18025381 | 0.72 | — | — | |
| SCHEMBL11173081 | 0.72 | — | — | |
| SCHEMBL21736611 | 0.69 | GABRA1 (0.32) | — | |
| SCHEMBL15111216 | 0.67 | — | — | |
| SCHEMBL21736606 | 0.65 | NCF1 (0.39) | — | |
| SCHEMBL1131303 | 0.65 | — | — | |
| SCHEMBL8100501 | 0.65 | — | — | |
| SCHEMBL8055128 | 0.65 | CYP2C9 (0.33) | — |
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-20190031607-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2019-01-31 | — | — | US | disclosed |
| WO-2017140274-A1 | TRICYCLIC COMPOUND SERVING AS IMMUNOMODULATOR | 正大天晴药业集团股份有限公司 | 2017-08-24 | — | — | WO | disclosed |
| WO-2016007534-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2016-01-14 | — | — | WO | disclosed |