⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL935818 | 0.80 | — | — | |
| SCHEMBL29073021 | 0.77 | — | — | |
| SCHEMBL9863688 | 0.76 | — | — | |
| SCHEMBL6711665 | 0.76 | — | — | |
| SCHEMBL4289473 | 0.76 | — | — | |
| SCHEMBL27337642 | 0.74 | — | — | |
| SCHEMBL28720266 | 0.74 | — | — | |
| SCHEMBL2873058 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL29586784 | 0.74 | — | — | |
| SCHEMBL19816428 | 0.73 | PAOX (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021062246-A1 | CRF RECEPTOR ANTAGONISTS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. (US) | 2021-04-01 | — | — | WO | disclosed |
| EP-1893767-A1 | PROCESS FOR PRODUCING ATORVASTATIN, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES THEREOF | Pfizer, Inc. (US) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006134482-A1 | PROCESS FOR PRODUCING ATORVASTATIN, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND INTERMEDIATES THEREOF | PFIZER INC. (US) | 2006-12-21 | — | — | WO | disclosed |