⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7428860 | 0.82 | — | — | |
| SCHEMBL5069141 | 0.82 | — | — | |
| SCHEMBL5180518 | 0.78 | — | — | |
| SCHEMBL5180522 | 0.78 | — | — | |
| SCHEMBL9677995 | 0.78 | CYP1A2 (0.41) | — | |
| SCHEMBL7939245 | 0.78 | — | — | |
| SCHEMBL12604879 | 0.78 | SIGMAR1 (0.33) | — | |
| SCHEMBL4266578 | 0.76 | — | — | |
| SCHEMBL16704374 | 0.76 | — | — | |
| SCHEMBL8047846 | 0.76 | ALDH1A1 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5093370-A | Useful prior to insertion of tracheotomy tube or discission | TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) | 1992-03-03 | — | — | US | disclosed |
| EP-0001668-B1 | CYCLISATION PROCESS FOR PREPARING 11 BETA-AXIALLY-SUBSTITUTED STEROIDS | AKZO N.V. (NL) | 1983-05-25 | — | — | EP | disclosed |
| US-4222940-A | Cyclization substrates, cyclization process and related 11β-axially-substituted steroids | AKZONA INCORPORATED (US) | 1980-09-16 | — | — | US | disclosed |
| EP-0001668-A2 | Cyclisation process for preparing 11 beta-axially-substituted steroids | AKZO N.V. (NL) | 1979-05-02 | — | — | EP | disclosed |