⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3154332 | 0.62 | — | — | |
| SCHEMBL8611217 | 0.57 | — | — | |
| SCHEMBL1714421 | 0.53 | — | — | |
| SCHEMBL8927303 | 0.53 | — | — | |
| SCHEMBL1148178 | 0.53 | — | — | |
| SCHEMBL3689101 | 0.53 | — | — | |
| SCHEMBL21609589 | 0.50 | — | — | |
| SCHEMBL192894 | 0.50 | — | — | |
| SCHEMBL13494677 | 0.50 | — | — | |
| SCHEMBL11289895 | 0.48 | ALDH1A1 (0.31) | — |
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-5008270-A | 2-amino-7-(heterocyclomethyl)-3H,5H-pyrrolo[3,2-d]pyrimidin-4-ones and pharmaceutical uses and compositions containing the same | BIOCRYST, INC. (US) | 1991-04-16 | — | — | US | disclosed |