⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11150501 | 0.91 | — | — | |
| SCHEMBL11789835 | 0.91 | — | — | |
| SCHEMBL8464246 | 0.89 | CES2 (0.38) | — | |
| SCHEMBL20880180 | 0.83 | NCF1 (0.38) | — | |
| SCHEMBL21300730 | 0.83 | — | — | |
| SCHEMBL14886268 | 0.81 | DRD2 (0.30) | — | |
| SCHEMBL4826004 | 0.79 | — | — | |
| SCHEMBL28089597 | 0.79 | CYP1A2 (0.35) | — | |
| SCHEMBL19250371 | 0.77 | — | — | |
| SCHEMBL4836366 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114591223-A | Beta-lactamase inhibitor compounds | 恩塔西斯治疗有限公司 | 2022-06-07 | — | — | CN | disclosed |
| US-7348065-B2 | Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon | NIPPON PAPER INDUSTRIES CO., LTD. (JP) | 2008-03-25 | — | — | US | disclosed |
| US-20050176908-A1 | Slipping property imparting agent for clear coating and clear coating paper having the agent applied thereon | SAN NOPCO LIMITED (JP) | 2005-08-11 | — | — | US | disclosed |