⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4546675 | 0.90 | — | — | |
| SCHEMBL17586748 | 0.84 | — | — | |
| SCHEMBL17586752 | 0.79 | — | — | |
| SCHEMBL2289434 | 0.78 | — | — | |
| SCHEMBL2292661 | 0.78 | — | — | |
| SCHEMBL23344384 | 0.75 | — | — | |
| SCHEMBL18897782 | 0.75 | — | — | |
| SCHEMBL24943860 | 0.75 | — | — | |
| SCHEMBL2290082 | 0.75 | — | — | |
| SCHEMBL15491584 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20160075711-A1 | COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE | MERCK PATENT GMBH (DE) | 2016-03-17 | — | — | US | disclosed |