⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19555534 | 0.83 | CA1 (0.36) | — | |
| SCHEMBL29017751 | 0.79 | TDP1 (0.31) | — | |
| SCHEMBL15045488 | 0.79 | CA2 (0.47) | — | |
| SCHEMBL13713139 | 0.79 | — | — | |
| SCHEMBL18064423 | 0.79 | — | — | |
| SCHEMBL14861303 | 0.79 | — | — | |
| SCHEMBL28861616 | 0.78 | SGPL1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL32662684 | 0.77 | CA2 (0.31) | — | |
| SCHEMBL18088373 | 0.75 | TSHR (0.48) | — | |
| SCHEMBL30151424 | 0.74 | EPHX1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109734856-B | Porphyrin-end-group-containing amphiphilic polypeptide block copolymer and preparation method and application thereof | 华东师范大学 | 2021-07-27 | — | — | CN | disclosed |