⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1715412 | 0.77 | — | — | |
| SCHEMBL2424526 | 0.77 | — | — | |
| SCHEMBL1146102 | 0.77 | CA2 (0.52) | — | |
| SCHEMBL4426331 | 0.75 | CA1 (0.48) | — | |
| SCHEMBL2419870 | 0.73 | CA2 (0.52) | — | |
| SCHEMBL18028390 | 0.73 | CA1 (0.46) | — | |
| SCHEMBL968309 | 0.72 | CA1 (0.45) | — | |
| SCHEMBL22403966 | 0.72 | CA1 (0.56) | — | |
| SCHEMBL12892595 | 0.72 | CA1 (0.41) | — | |
| Ethylene SCHEMBL11862146 | 0.71 | CA2 (0.57) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141027-A1 | INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREOF AND USE THEREOF | 南京华威医药科技集团有限公司 | 2019-07-25 | — | — | WO | disclosed |