⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9397220 | 1.00 | TSHR (0.45) | — | |
| SCHEMBL5424360 | 1.00 | — | — | |
| SCHEMBL7980813 | 0.97 | — | — | |
| SCHEMBL6432169 | 0.87 | — | — | |
| SCHEMBL9670647 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL18660194 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL7870810 | 0.83 | — | — | |
| SCHEMBL9421453 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL9421489 | 0.83 | TSHR (0.35) | — | |
| SCHEMBL9668013 | 0.83 | TSHR (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997002232-A1 | PROCESS FOR THE HYDROGENATION OF IMINES IN THE PRESENCE OF IMMOBILIZED Ir-DIPHOSPHINE CATALYSTS | NOVARTIS AG (CH) | 1997-01-23 | — | — | WO | disclosed |