⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7672273 | 0.86 | — | — | |
| SCHEMBL10813588 | 0.80 | KEAP1 (0.34) | — | |
| SCHEMBL9167013 | 0.74 | GNAI3 (0.38) | — | |
| SCHEMBL3392366 | 0.71 | — | — | |
| SCHEMBL3486073 | 0.71 | — | — | |
| SCHEMBL2099498 | 0.71 | CYP1A2 (0.34) | — | |
| SCHEMBL3385324 | 0.70 | — | — | |
| SCHEMBL3317288 | 0.70 | — | — | |
| SCHEMBL1168662 | 0.70 | LTA4H (0.35) | — | |
| SCHEMBL6961881 | 0.68 | KEAP1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103339141-B | C-28 amines of C-3 modified betulinic acid derivatives as HIV maturation inhibitors | 百时美施贵宝公司 | 2016-08-24 | — | — | CN | disclosed |
| US-6933288-B2 | Pyranosyl cytosines: pharmaceutical formulations and methods | ISIS PHARMACEUTICALS, INC. | 2005-08-23 | — | — | US | disclosed |