⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9204443 | 0.84 | — | — | |
| SCHEMBL7803023 | 0.80 | CA12 (0.33) | — | |
| SCHEMBL8311984 | 0.78 | MGLL (0.31) | — | |
| SCHEMBL7497954 | 0.78 | DNM1 (0.36) | — | |
| SCHEMBL9208998 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL4179690 | 0.77 | — | — | |
| SCHEMBL564627 | 0.71 | DNM1 (0.39) | — | |
| SCHEMBL4203223 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL4438505 | 0.68 | DNM1 (0.36) | — | |
| SCHEMBL4199196 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349859-A2 | TRIAZOLOPYRIMIDINES | Bayer CropScience AG (DE) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002050077-A2 | TRIAZOLOPYRIMIDINES | BAYER CROPSCIENCE AG (DE) | 2002-06-27 | — | — | WO | disclosed |