⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7251646 | 0.92 | — | — | |
| SCHEMBL8517224 | 0.85 | TSHR (0.32) | — | |
| SCHEMBL3480933 | 0.82 | PPARG (0.35) | — | |
| SCHEMBL8450875 | 0.81 | PPARG (0.37) | — | |
| SCHEMBL6688504 | 0.81 | — | — | |
| SCHEMBL10427477 | 0.81 | PPARG (0.37) | — | |
| SCHEMBL5309648 | 0.81 | PPARG (0.37) | — | |
| SCHEMBL10336321 | 0.81 | PPARG (0.37) | — | |
| SCHEMBL7941733 | 0.79 | MAPT (0.36) | — | |
| SCHEMBL7252578 | 0.76 | SIGMAR1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6559140-B2 | Cyclic and bicyclic diamino histamine-3 receptor antagonists | ABBOTT LABORATORIES | 2003-05-06 | — | — | US | disclosed |
| US-20010049367-A1 | Cyclic and bicyclic diamino histamine-3 receptor antagonists | ABBVIE INC. | 2001-12-06 | — | — | US | disclosed |