⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14964185 | 0.86 | POLB (0.32) | — | |
| SCHEMBL15093281 | 0.86 | IDO1 (0.33) | — | |
| SCHEMBL14462030 | 0.83 | MAPT (0.39) | — | |
| SCHEMBL14964226 | 0.82 | STAT5B (0.41) | — | |
| SCHEMBL14964298 | 0.80 | STAT5B (0.41) | — | |
| SCHEMBL14964240 | 0.80 | — | — | |
| SCHEMBL5631887 | 0.79 | MAPT (0.38) | — | |
| SCHEMBL5631893 | 0.79 | MAPT (0.38) | — | |
| SCHEMBL14964288 | 0.79 | HDAC6 (0.39) | — | |
| SCHEMBL14964315 | 0.79 | IDO1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8450351-B2 | N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase | INCYTE CORPORATION (US) | 2013-05-28 | — | — | US | claimed |