⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6410467 | 1.00 | — | — | |
| SCHEMBL21204930 | 0.79 | — | — | |
| SCHEMBL31281425 | 0.75 | — | — | |
| SCHEMBL2831467 | 0.75 | — | — | |
| SCHEMBL1335734 | 0.73 | — | — | |
| SCHEMBL1706136 | 0.73 | — | — | |
| SCHEMBL264785 | 0.73 | — | — | |
| SCHEMBL2216251 | 0.73 | — | — | |
| SCHEMBL3871642 | 0.73 | — | — | |
| SCHEMBL13776530 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120041225-A1 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2012-02-16 | — | — | US | claimed |
| EP-1981831-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | Vaidya, Niteen A. (US) | 2008-10-22 | — | — | EP | claimed |
| WO-2007092264-A2 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2007-08-16 | — | — | WO | claimed |
| US-20070185346-A1 | Kit for automated resolving agent selection and method thereof | VAIDYA NITEEN A | 2007-08-09 | — | — | US | claimed |
| US-20120041225-A1 | KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF | VAIDYA NITEEN A (US) | 2012-02-16 | — | — | US | disclosed |
| US-20070185346-A1 | Kit for automated resolving agent selection and method thereof | VAIDYA NITEEN A | 2007-08-09 | — | — | US | disclosed |