⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25490278 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL23422440 | 0.80 | — | — | |
| SCHEMBL23715985 | 0.73 | — | — | |
| SCHEMBL17974513 | 0.72 | — | — | |
| SCHEMBL19287727 | 0.70 | — | — | |
| SCHEMBL19846902 | 0.70 | — | — | |
| SCHEMBL19965729 | 0.67 | — | — | |
| SCHEMBL8172834 | 0.67 | — | — | |
| SCHEMBL24023634 | 0.67 | — | — | |
| SCHEMBL18440718 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10399933-B2 | Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-09-03 | — | — | US | disclosed |
| US-20180072660-A1 | INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER | BRISTOL MYERS SQUIBB CO (US) | 2018-03-15 | — | — | US | disclosed |
| US-9675593-B2 | Anti-fibrotic pyridinones | INTERMUNE, INC. (US) | 2017-06-13 | — | — | US | disclosed |