⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9553119 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL1477646 | 0.66 | — | — | |
| SCHEMBL9070460 | 0.64 | CHRNB2 (0.44) | — | |
| SCHEMBL31587885 | 0.63 | POLB (0.34) | — | |
| SCHEMBL10898470 | 0.61 | — | — | |
| SCHEMBL3744044 | 0.59 | — | — | |
| SCHEMBL31649405 | 0.59 | — | — | |
| SCHEMBL122103 | 0.59 | — | — | |
| SCHEMBL1856117 | 0.59 | — | — | |
| SCHEMBL8143606 | 0.58 | FUCA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3055307-A1 | SUBSTITUTED BERBINES AND THEIR SYNTHESIS | Mallinckrodt LLC (US) | 2016-08-17 | — | — | EP | disclosed |
| US-9181237-B2 | Substituted berbines and their synthesis | MALLINCKRODT LLC (US) | 2015-11-10 | — | — | US | disclosed |
| US-20150099772-A1 | SUBSTITUTED BERBINES AND THEIR SYNTHESIS | SUCAMPO PHARMA AMERICAS LLC | 2015-04-09 | — | — | US | disclosed |
| WO-2015051106-A1 | SUBSTITUTED BERBINES AND THEIR SYNTHESIS | MALLINCKRODT LLC (US) | 2015-04-09 | — | — | WO | disclosed |