⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8033591 | 0.80 | — | — | |
| SCHEMBL8045500 | 0.79 | — | — | |
| SCHEMBL8050184 | 0.74 | NPC1 (0.32) | — | |
| SCHEMBL8050844 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL8042936 | 0.72 | RAB9A (0.32) | — | |
| SCHEMBL8045244 | 0.69 | F2RL3 (0.42) | — | |
| SCHEMBL8043899 | 0.69 | FBP1 (0.39) | — | |
| SCHEMBL8050946 | 0.68 | L3MBTL1 (0.43) | — | |
| SCHEMBL8043479 | 0.67 | — | — | |
| SCHEMBL8044148 | 0.66 | — | — |
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-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |