⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20210120 | 0.78 | GRIK1 (0.34) | — | |
| SCHEMBL23520892 | 0.72 | — | — | |
| SCHEMBL4138104 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL4138101 | 0.70 | — | — | |
| SCHEMBL4138099 | 0.70 | — | — | |
| SCHEMBL1071323 | 0.69 | BACE1 (0.42) | — | |
| SCHEMBL24411569 | 0.68 | GRIK1 (0.33) | — | |
| SCHEMBL20953358 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL11250977 | 0.67 | TSHR (0.42) | — | |
| SCHEMBL11250973 | 0.67 | TSHR (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10980807-B2 | Inhibitor of indoleamine-2,3-dioxygenase (IDO) | INVENTISBIO LLC (US) | 2021-04-20 | — | — | US | disclosed |
| US-20200046697-A1 | INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) | INVENTISBIO LLC | 2020-02-13 | — | — | US | disclosed |