⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8421083 | 0.64 | — | — | |
| SCHEMBL4268178 | 0.63 | — | — | |
| SCHEMBL2007098 | 0.60 | GSK3A (0.39) | — | |
| SCHEMBL918294 | 0.60 | ADRA2A (0.31) | — | |
| SCHEMBL2777592 | 0.59 | — | — | |
| SCHEMBL17100497 | 0.58 | — | — | |
| SCHEMBL3172157 | 0.57 | — | — | |
| SCHEMBL3462882 | 0.56 | CRBN (0.39) | — | |
| SCHEMBL28328242 | 0.54 | CYP1A2 (0.37) | — | |
| SCHEMBL8677998 | 0.52 | CYP1A2 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5733918-A | ANTITUMOR AGENT | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1998-03-31 | — | — | US | disclosed |
| US-5710162-A | ANTITUMOR AGENTS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1998-01-20 | — | — | US | disclosed |