⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12825867 | 1.00 | — | — | |
| SCHEMBL1271049 | 1.00 | — | — | |
| SCHEMBL12995453 | 0.92 | — | — | |
| SCHEMBL823159 | 0.83 | ADH1A (0.32) | — | |
| SCHEMBL887195 | 0.83 | ADH1A (0.32) | — | |
| SCHEMBL887222 | 0.83 | ADH1A (0.32) | — | |
| SCHEMBL4848 | 0.83 | — | — | |
| SCHEMBL6851270 | 0.82 | — | — | |
| SCHEMBL7359140 | 0.82 | — | — | |
| SCHEMBL3392633 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100113519-A1 | 1,5-Dideoxy-1,5-imino-D-glucitol Compounds | ACADEMIA SINICA (TW) | 2010-05-06 | — | — | US | disclosed |
| US-7544690-B2 | MCH receptor antagonists | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-06-09 | — | — | US | disclosed |
| US-7314950-B2 | Process for producing trans-4-amino-1-cyclohexanecarboxilic acid derivative | SHIONOGI & CO., LTD. (JP) | 2008-01-01 | — | — | US | disclosed |