⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12466699 | 0.79 | — | — | |
| SCHEMBL283057 | 0.63 | — | — | |
| SCHEMBL21323164 | 0.61 | — | — | |
| SCHEMBL17052347 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6069035 | 0.59 | — | — | |
| SCHEMBL910823 | 0.59 | — | — | |
| SCHEMBL16103899 | 0.56 | — | — | |
| SCHEMBL22721612 | 0.46 | — | — | |
| SCHEMBL20494745 | 0.46 | — | — | |
| SCHEMBL465745 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1556052-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| US-20060247272-A1 | 4-Amino Substituted-2-Substituted-1,2,3,4-tetrahydroquinoline Compounds | PFIZER INC | 2006-11-02 | — | — | US | disclosed |
| EP-1556052-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004037171-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2004-05-06 | — | — | WO | disclosed |