⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6929009 | 0.77 | — | — | |
| SCHEMBL8481242 | 0.74 | MAPT (0.46) | — | |
| SCHEMBL5678779 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL19323251 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL1806489 | 0.70 | LMNA (0.38) | — | |
| SCHEMBL1809844 | 0.69 | POLB (0.38) | — | |
| SCHEMBL3678851 | 0.69 | — | — | |
| SCHEMBL20209637 | 0.68 | KMT2A (0.38) | — | |
| SCHEMBL4245618 | 0.68 | RAB9A (0.51) | — | |
| SCHEMBL1456606 | 0.67 | CYP1A2 (0.67) | — |
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-109897011-B | IDO inhibitor and application thereof | 上海华汇拓医药科技有限公司 | 2023-10-31 | — | — | CN | disclosed |