⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4456380 | 0.65 | — | — | |
| SCHEMBL8863078 | 0.59 | — | — | |
| SCHEMBL5133756 | 0.59 | — | — | |
| Water SCHEMBL17440337 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL29133445 | 0.57 | — | — | |
| SCHEMBL24359532 | 0.55 | — | — | |
| SCHEMBL7797313 | 0.55 | — | — | |
| SCHEMBL13697669 | 0.54 | — | — | |
| SCHEMBL13040569 | 0.54 | — | — | |
| SCHEMBL367419 | 0.47 | — | — |
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-20100286101-A1 | PHARMACEUTICAL COMPOSITION INCLUDING A CORTICOSTEROID AND A VITAMIN D ANALOG HAVING IMPROVED STABILITY | CARBOL JASON | 2010-11-11 | — | — | US | disclosed |
| WO-2010129062-A1 | PHARMACEUTICAL COMPOSITION INCLUDING A CORTICOSTEROID AND A VITAMIN D ANALOG HAVING IMPROVED STABILITY | CARBOL JASON (US) | 2010-11-11 | — | — | WO | disclosed |
| US-6218580-B1 | REACTING ALCOHOL IN PRESENCE OF ACID-STABLE HYDROGENATION CATALYST | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 2001-04-17 | — | — | US | disclosed |