⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29181735 | 0.68 | BRD4 (0.35) | — | |
| SCHEMBL29473303 | 0.64 | HTR7 (0.42) | — | |
| SCHEMBL11773796 | 0.64 | HTR7 (0.42) | — | |
| SCHEMBL16815422 | 0.63 | NQO2 (0.32) | — | |
| SCHEMBL16815380 | 0.63 | TSHR (0.43) | — | |
| SCHEMBL6825603 | 0.63 | MAPT (0.62) | — | |
| SCHEMBL6703730 | 0.63 | CA1 (0.45) | — | |
| SCHEMBL10412062 | 0.62 | HTR7 (0.41) | — | |
| SCHEMBL9236949 | 0.61 | MAPT (0.46) | — | |
| SCHEMBL8545516 | 0.61 | — | — |
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-117487150-A | Polycarbonate, preparation method and application thereof | 万华化学集团股份有限公司 | 2024-02-02 | — | — | CN | disclosed |