⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5537467 | 0.80 | — | — | |
| SCHEMBL8792173 | 0.70 | — | — | |
| SCHEMBL1232019 | 0.69 | — | — | |
| SCHEMBL10988092 | 0.68 | — | — | |
| SCHEMBL4281299 | 0.68 | — | — | |
| SCHEMBL4030569 | 0.68 | — | — | |
| SCHEMBL13597314 | 0.65 | KMT2A (0.36) | — | |
| SCHEMBL4275273 | 0.62 | CA12 (0.34) | — | |
| SCHEMBL10924094 | 0.62 | KMT2A (0.34) | — | |
| SCHEMBL7077963 | 0.60 | KMT2A (0.40) | — |
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-0799216-A1 | SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1997-10-08 | — | — | EP | disclosed |
| WO-1996019467-A1 | SUBSTITUTED THIADIAZOLES, COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIMICROBIAL AND MARINE ANTIFOULING AGENTS | THE DOW CHEMICAL COMPANY (US) | 1996-06-27 | — | — | WO | disclosed |
| US-5491155-A | MICROBIOCIDES FOR MIXING INTO PAINTS, INKS, LATEX, SOAPS, PAPER COATINGS, LOTIONS | THE DOW CHEMICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |