⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64584 | 0.79 | DUT (0.30) | — | |
| SCHEMBL16148056 | 0.68 | — | — | |
| SCHEMBL9238223 | 0.66 | TSHR (0.36) | — | |
| SCHEMBL16995013 | 0.64 | TSHR (0.30) | — | |
| SCHEMBL9913147 | 0.63 | DUT (0.42) | — | |
| SCHEMBL22689310 | 0.62 | — | — | |
| SCHEMBL16493079 | 0.62 | ALDH1A1 (0.39) | — | |
| SCHEMBL17598733 | 0.62 | — | — | |
| SCHEMBL73300 | 0.62 | — | — | |
| SCHEMBL27723831 | 0.62 | — | — |
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-20040224961-A1 | Novel thiazolo (4,5-D) pyrimidine compounds | ASTRAZENECA UK LIMITED, A BRITISH CORPORATION | 2004-11-11 | — | — | US | disclosed |