⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8047343 | 0.70 | ABL1 (0.32) | — | |
| SCHEMBL8044634 | 0.68 | CYP2A6 (0.38) | — | |
| SCHEMBL8045800 | 0.68 | DAO (0.33) | — | |
| SCHEMBL8048177 | 0.63 | RAB9A (0.37) | — | |
| SCHEMBL8043972 | 0.63 | ALDH1A1 (0.45) | — | |
| SCHEMBL8033667 | 0.59 | — | — | |
| SCHEMBL8034315 | 0.59 | MMP12 (0.32) | — | |
| SCHEMBL8287086 | 0.58 | ALDH1A1 (0.44) | — | |
| SCHEMBL1665356 | 0.58 | ALDH1A1 (0.48) | — | |
| SCHEMBL8043101 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |
| WO-1998027092-A1 | THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION | SUGEN, INC. (US) | 1998-06-25 | — | — | WO | disclosed |