⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6069990 | 0.57 | — | — | |
| SCHEMBL5139408 | 0.56 | — | — | |
| SCHEMBL6028973 | 0.54 | — | — | |
| SCHEMBL22696274 | 0.51 | — | — | |
| SCHEMBL29865 | 0.49 | — | — | |
| SCHEMBL824416 | 0.47 | CSNK2A1 (0.55) | — | |
| SCHEMBL940153 | 0.47 | — | — | |
| SCHEMBL24916721 | 0.46 | — | — | |
| SCHEMBL9698873 | 0.44 | — | — | |
| Hydrochloric Acid SCHEMBL163943 | 0.44 | PARP1 (0.46) | — |
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-8183365-B2 | Synthetic method for ceratamine A and B and analogs thereof | THE OHIO STATE UNIVERSITY (US) | 2012-05-22 | — | — | US | disclosed |
| US-8183365-B2 | Synthetic method for ceratamine A and B and analogs thereof | THE OHIO STATE UNIVERSITY (US) | 2012-05-22 | — | — | US | disclosed |
| US-20100234588-A1 | SYNTHETIC METHOD FOR CERATAMINE A AND B AND ANALOGS THEREOF | THE OHIO STATE UNIVERSITY (US) | 2010-09-16 | — | — | US | disclosed |
| US-20100234588-A1 | SYNTHETIC METHOD FOR CERATAMINE A AND B AND ANALOGS THEREOF | THE OHIO STATE UNIVERSITY (US) | 2010-09-16 | — | — | US | disclosed |