⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27893565 | 0.98 | — | — | |
| SCHEMBL479907 | 0.78 | — | — | |
| SCHEMBL27903597 | 0.68 | — | — | |
| SCHEMBL27263378 | 0.63 | — | — | |
| SCHEMBL27704295 | 0.63 | — | — | |
| SCHEMBL27298913 | 0.61 | KDM4E (0.31) | — | |
| SCHEMBL15196537 | 0.60 | RAB9A (0.33) | — | |
| SCHEMBL18780817 | 0.59 | RAB9A (0.42) | — | |
| SCHEMBL7388017 | 0.59 | — | — | |
| SCHEMBL1236183 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101084235-A | 3-deoxyglucosone and skin | DYNAMIS THERAPEUTICS INC (US) | 2007-12-05 | — | — | CN | claimed |
| EP-0808163-B1 | USE OF THIAZOLIUM COMPOUNDS FOR PREVENTING AND REVERSING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS | ALTEON INC (US) | 2003-07-23 | — | — | EP | claimed |
| US-6440749-B1 | ADMINISTERING A THIAZOLE COMPOUND | ALTEON. INC. | 2002-08-27 | — | — | US | claimed |
| CN-101084235-A | 3-deoxyglucosone and skin | DYNAMIS THERAPEUTICS INC (US) | 2007-12-05 | — | — | CN | disclosed |