⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9039391 | 1.00 | — | — | |
| SCHEMBL9033792 | 0.83 | PLG (0.44) | — | |
| SCHEMBL9033786 | 0.83 | PLG (0.44) | — | |
| SCHEMBL9032942 | 0.82 | HTR2A (0.41) | — | |
| SCHEMBL9032954 | 0.82 | HTR2A (0.41) | — | |
| SCHEMBL9032672 | 0.82 | NR4A1 (0.40) | — | |
| SCHEMBL9032659 | 0.82 | NR4A1 (0.40) | — | |
| SCHEMBL9034120 | 0.81 | PLG (0.48) | — | |
| SCHEMBL9032886 | 0.81 | HDAC8 (0.52) | — | |
| SCHEMBL9032866 | 0.81 | HDAC8 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0511477-B1 | Indole derivatives | KYOWA HAKKO KOGYO KK (JP) | 1996-07-10 | — | — | EP | disclosed |
| US-5239083-A | Anticarcinogenic agents, prostate cancer treatment | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-08-24 | — | — | US | disclosed |
| EP-0511477-A1 | Indole derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |