⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL652651 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL9553803 | 0.76 | — | — | |
| SCHEMBL9553811 | 0.76 | — | — | |
| SCHEMBL51611 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL566952 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL6829129 | 0.76 | ALDH1A1 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL28264858 | 0.74 | — | — | |
| SCHEMBL11735834 | 0.73 | — | — | |
| SCHEMBL459531 | 0.73 | — | — | |
| SCHEMBL6744089 | 0.72 | NOS1 (0.31) | — |
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-7125957-B1 | VPR mutant protein and its encoding gene having apoptosis-inducing action | RIKEN (JP) | 2006-10-24 | — | — | US | disclosed |
| US-20050266498-A1 | Method for screening biomolecule activity regulator | AJINOMOTO CO., INC. (JP) | 2005-12-01 | — | — | US | disclosed |
| US-6646116-B1 | Mutations selected from given amino acid substitutions; enhanced ability to induce replication | RIKEN (JP) | 2003-11-11 | — | — | US | disclosed |
| EP-1167522-A1 | METHOD FOR SCREENING BIOMOLECULE ACTIVITY REGULATOR | Ajinomoto Co., Inc. (JP) | 2002-01-02 | — | — | EP | disclosed |
| EP-1106686-A1 | ARTIODACTYL EPIMORPHINE | Sumitomo Electric Industries, Ltd. (JP) | 2001-06-13 | — | — | EP | disclosed |
| CN-1195987-A | Use of quinolone derivatives for inhibiting cancer | OTSUKA PHARMA CO LTD (JP) | 1998-10-14 | — | — | CN | disclosed |