⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27357236 | 0.80 | POLB (0.32) | — | |
| SCHEMBL20270268 | 0.78 | PSMG3 (0.36) | — | |
| SCHEMBL8463383 | 0.68 | — | — | |
| SCHEMBL8464644 | 0.68 | — | — | |
| SCHEMBL27452461 | 0.66 | KMT2A (0.36) | — | |
| SCHEMBL9787520 | 0.64 | LMNA (0.45) | — | |
| SCHEMBL27452471 | 0.63 | MAPK1 (0.36) | — | |
| SCHEMBL25142230 | 0.60 | HTT (0.46) | — | |
| SCHEMBL11755812 | 0.60 | CES2 (0.39) | — | |
| SCHEMBL14925778 | 0.60 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1071540-C | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 2001-09-26 | — | — | CN | disclosed |
| CN-1140542-A | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 1997-01-22 | — | — | CN | disclosed |