⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8033637 | 0.87 | LMNA (0.32) | — | |
| SCHEMBL8032337 | 0.84 | HTT (0.39) | — | |
| SCHEMBL8052246 | 0.81 | KMT2A (0.36) | — | |
| SCHEMBL8044008 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL8033860 | 0.81 | DCUN1D1 (0.36) | — | |
| SCHEMBL8034114 | 0.79 | HTT (0.31) | — | |
| SCHEMBL8045327 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL8046340 | 0.76 | KMT2A (0.34) | — | |
| SCHEMBL8047444 | 0.76 | ALDH1A1 (0.44) | — | |
| SCHEMBL8033073 | 0.75 | RAB9A (0.36) | — |
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 |