⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23765482 | 0.95 | — | — | |
| SCHEMBL23765641 | 0.93 | — | — | |
| SCHEMBL23765619 | 0.87 | NT5E (0.34) | — | |
| SCHEMBL23765405 | 0.85 | NT5E (0.30) | — | |
| SCHEMBL23765637 | 0.84 | — | — | |
| SCHEMBL23765348 | 0.84 | — | — | |
| SCHEMBL23765427 | 0.84 | — | — | |
| SCHEMBL23765461 | 0.82 | NT5E (0.33) | — | |
| SCHEMBL23765543 | 0.82 | NT5E (0.36) | — | |
| SCHEMBL23765525 | 0.82 | NT5E (0.33) | — |
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-20210253614-A1 | COMPOSITIONS AND METHODS FOR INHIBITING CD73 | PELOTON THERAPEUTICS, INC. (US) | 2021-08-19 | — | — | US | disclosed |