⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8043914 | 0.80 | — | — | |
| SCHEMBL8044693 | 0.79 | — | — | |
| SCHEMBL8042548 | 0.77 | TRPM8 (0.34) | — | |
| SCHEMBL8042849 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL8046313 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL8710115 | 0.72 | FBP1 (0.30) | — | |
| SCHEMBL8051237 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL8044448 | 0.71 | RAB9A (0.32) | — | |
| SCHEMBL8045061 | 0.70 | F2RL3 (0.42) | — | |
| SCHEMBL8037025 | 0.70 | MEN1 (0.37) | — |
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 |