⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12677149 | 0.79 | — | — | |
| SCHEMBL30981586 | 0.78 | — | — | |
| SCHEMBL19383182 | 0.78 | — | — | |
| SCHEMBL11003979 | 0.78 | — | — | |
| SCHEMBL7770031 | 0.78 | — | — | |
| SCHEMBL16922203 | 0.78 | — | — | |
| SCHEMBL21183016 | 0.76 | HRH1 (0.32) | — | |
| SCHEMBL27992586 | 0.74 | — | — | |
| SCHEMBL22954150 | 0.72 | — | — | |
| SCHEMBL13075138 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5429936-A | Haptens, Claisen rearrangement | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-07-04 | — | — | US | claimed |
| JP-2029454-A | — | — | None | — | — | JP | disclosed |
| US-20110237636-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2011-09-29 | — | — | US | disclosed |
| EP-1280500-B1 | SYNERGISTIC ANTIPLAQUE/ANTIGINGIVITIS ORAL COMPOSITION | COLGATE PALMOLIVE CO (US) | 2006-06-28 | — | — | EP | disclosed |
| EP-1280500-A2 | SYNERGISTIC ANTIPLAQUE/ANTIGINGIVITIS ORAL COMPOSITION | Colgate-Palmolive Company (US) | 2003-02-05 | — | — | EP | disclosed |
| WO-2001085116-A2 | SYNERGISTIC ANTIPLAQUE/ANTIGINGIVITIS ORAL COMPOSITION | COLGATE-PALMOLIVE COMPANY (US) | 2001-11-15 | — | — | WO | disclosed |
| US-5429936-A | Haptens, Claisen rearrangement | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-07-04 | — | — | US | disclosed |
| US-5100879-A | Disinfection for retroviruses by cleansing with dextran sulfate | K.K. UENO SEIYAKU OYO KENKYUJO (JP) | 1992-03-31 | — | — | US | disclosed |
| JP-H0229454-A | THERMOPLASTIC MOLDING MATERIAL AND ITS MANUFACTURE | HUELS AG | 1990-01-31 | — | — | JP | disclosed |