⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL372342 | 0.83 | — | — | |
| SCHEMBL669536 | 0.73 | — | — | |
| SCHEMBL27949056 | 0.69 | — | — | |
| SCHEMBL3239315 | 0.69 | — | — | |
| SCHEMBL9369616 | 0.68 | EPHX1 (0.39) | — | |
| SCHEMBL7359196 | 0.67 | ELANE (0.35) | — | |
| SCHEMBL9665732 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL3859250 | 0.67 | — | — | |
| SCHEMBL2051350 | 0.67 | — | — | |
| SCHEMBL372343 | 0.67 | — | — |
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-5502183-A | CORTICOSTEROIDS | SCHERING CORPORATION (US) | 1996-03-26 | — | — | US | disclosed |
| WO-1993015103-A3 | NOVEL STEROID INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION | SCHERING CORP (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993015103-A2 | NOVEL STEROID INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION | SCHERING CORPORATION (US) | 1993-08-05 | — | — | WO | disclosed |