⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19887775 | 0.85 | — | — | |
| SCHEMBL15187792 | 0.78 | THRB (0.36) | — | |
| SCHEMBL6004504 | 0.72 | — | — | |
| SCHEMBL28762556 | 0.70 | — | — | |
| SCHEMBL5071013 | 0.67 | — | — | |
| SCHEMBL21689831 | 0.66 | EPHX1 (0.42) | — | |
| SCHEMBL2100134 | 0.66 | EPHX1 (0.42) | — | |
| SCHEMBL4742 | 0.65 | — | — | |
| SCHEMBL6715409 | 0.64 | — | — | |
| SCHEMBL2101563 | 0.64 | EPHX1 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0859610-B1 | IBOGAMINE CONGENERS | ALBANY MEDICAL COLLEGE (US) | 2006-01-11 | — | — | EP | disclosed |
| EP-0859610-A4 | IBOGAMINE CONGENERS | ALBANY MEDICAL COLLEGE (US) | 2002-05-15 | — | — | EP | disclosed |
| US-6211360-B1 | DRUG ABRUSE THERAPY; PLANT EXTRACTS | ALBANY MEDICAL COLLEGE | 2001-04-03 | — | — | US | disclosed |
| EP-0859610-A1 | IBOGAMINE CONGENERS | ALBANY MEDICAL COLLEGE (US) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997005869-A1 | IBOGAMINE CONGENERS | ALBANY MEDICAL COLLEGE (US) | 1997-02-20 | — | — | WO | disclosed |