⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL26985849 | 0.98 | ADRB2 (0.38) | — | |
| SCHEMBL863158 | 0.80 | — | — | |
| SCHEMBL21391742 | 0.76 | INMT (0.33) | — | |
| SCHEMBL14022352 | 0.76 | — | — | |
| SCHEMBL12392055 | 0.74 | ADRB2 (0.38) | — | |
| SCHEMBL20813265 | 0.73 | — | — | |
| SCHEMBL12534004 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL25660620 | 0.73 | HSD17B10 (0.42) | — | |
| SCHEMBL16280935 | 0.71 | INMT (0.30) | — | |
| SCHEMBL28861739 | 0.70 | NPC1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008487-B2 | Substituted thieno[2,3-D]pyrimidines as fungicides | DOW AGROSCIENCES LLC (US) | 2011-08-30 | — | — | US | disclosed |
| US-8008487-B2 | Substituted thieno[2,3-D]pyrimidines as fungicides | DOW AGROSCIENCES LLC (US) | 2011-08-30 | — | — | US | disclosed |
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |