⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL6236341 | 0.96 | TSHR (0.31) | — | |
| SCHEMBL334 | 0.96 | — | — | |
| SCHEMBL11793390 | 0.96 | — | — | |
| SCHEMBL27714900 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL10748269 | 0.92 | — | — | |
| SCHEMBL7373457 | 0.92 | — | — | |
| SCHEMBL116567 | 0.92 | — | — | |
| SCHEMBL27263498 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL6677623 | 0.88 | TSHR (0.31) | — | |
| Charcoal, Activated SCHEMBL6236339 | 0.88 | TSHR (0.31) | — |
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-105899498-A | Method for synthesizing indoleamine 2, 3-dioxygenase inhibitors | 因赛特控股公司 | 2016-08-24 | — | — | CN | disclosed |