⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28041210 | 0.75 | — | — | |
| SCHEMBL27906692 | 0.75 | — | — | |
| SCHEMBL29180900 | 0.75 | — | — | |
| SCHEMBL25397850 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL27740015 | 0.72 | MPO (0.32) | — | |
| SCHEMBL978880 | 0.70 | — | — | |
| SCHEMBL28120555 | 0.69 | LOXL2 (0.36) | — | |
| SCHEMBL1662818 | 0.68 | — | — | |
| SCHEMBL14829958 | 0.68 | — | — | |
| SCHEMBL2344838 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116077685-A | Radionuclide-labeled boron-containing medicament and preparation and application thereof | 成都纽瑞特医疗科技股份有限公司 | 2023-05-09 | — | — | CN | claimed |
| CN-116077655-A | Boron-containing medicine and its preparation method | 成都纽瑞特医疗科技股份有限公司 | 2023-05-09 | — | — | CN | claimed |
| CN-116077685-A | Radionuclide-labeled boron-containing medicament and preparation and application thereof | 成都纽瑞特医疗科技股份有限公司 | 2023-05-09 | — | — | CN | disclosed |
| CN-116077655-A | Boron-containing medicine and its preparation method | 成都纽瑞特医疗科技股份有限公司 | 2023-05-09 | — | — | CN | disclosed |