⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3002768 | 0.48 | — | — | |
| Tetrachloroethylene SCHEMBL10523639 | 0.47 | TSHR (0.62) | — | |
| SCHEMBL624173 | 0.46 | — | — | |
| SCHEMBL10530939 | 0.46 | — | — | |
| Hypochlorous Acid SCHEMBL23528218 | 0.45 | — | — | |
| Hypochlorous Acid SCHEMBL28162909 | 0.45 | — | — | |
| Hypochlorous Acid SCHEMBL10949949 | 0.45 | — | — | |
| SCHEMBL13154178 | 0.42 | — | — | |
| Hydrochloric Acid SCHEMBL388311 | 0.42 | — | — | |
| Ammonia Solution, Strong SCHEMBL5017396 | 0.42 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11192868-B2 | Modulators of indoleamine 2,3-dioxygenase and methods of using the same | INCYTE CORPORATION (US) | 2021-12-07 | — | — | US | disclosed |
| US-20190210985-A1 | MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME | INCYTE CORPORATION | 2019-07-11 | — | — | US | disclosed |