⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19386549 | 1.00 | — | — | |
| SCHEMBL26254541 | 0.79 | EPHX2 (0.35) | — | |
| SCHEMBL130968 | 0.75 | — | — | |
| SCHEMBL43449 | 0.75 | — | — | |
| SCHEMBL25438483 | 0.73 | — | — | |
| SCHEMBL180095 | 0.73 | — | — | |
| SCHEMBL16730136 | 0.73 | — | — | |
| SCHEMBL16750985 | 0.73 | — | — | |
| SCHEMBL25162342 | 0.73 | — | — | |
| SCHEMBL10311266 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3189054-B1 | (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER | MERCK PATENT GMBH (DE) | 2019-07-24 | — | — | EP | disclosed |
| US-10329297-B2 | Compounds for the inhibition of indoleamine-2,3-dioxygenase | MERCK PATENT GMBH (DE) | 2019-06-25 | — | — | US | disclosed |
| US-20170355703-A1 | COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE | MERCK PATENT GMBH (DE) | 2017-12-14 | — | — | US | disclosed |
| US-9771370-B2 | Compounds for the inhibition of indoleamine-2,3-dioxygenase | MERCK PATENT GMBH (DE) | 2017-09-26 | — | — | US | disclosed |