⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8460213 | 0.73 | LDHA (0.35) | — | |
| SCHEMBL8464644 | 0.69 | — | — | |
| SCHEMBL27528544 | 0.68 | — | — | |
| SCHEMBL8462789 | 0.67 | HSPA5 (0.35) | — | |
| SCHEMBL8463362 | 0.67 | LDHA (0.31) | — | |
| SCHEMBL8463923 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL8463916 | 0.64 | LDHA (0.31) | — | |
| SCHEMBL8464421 | 0.63 | POLB (0.37) | — | |
| SCHEMBL25142230 | 0.61 | HTT (0.46) | — | |
| SCHEMBL11755812 | 0.61 | CES2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0745326-B1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5594017-A | WITH AN IODOSYL OR IODYL COMPOUND | ROHM AND HAAS COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0745326-A1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM AND HAAS COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |