⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6421114 | 0.66 | TP53 (0.40) | — | |
| SCHEMBL6422252 | 0.65 | GLA (0.33) | — | |
| SCHEMBL6422817 | 0.64 | HTR3A (0.34) | — | |
| SCHEMBL6424061 | 0.64 | PTGDR2 (0.35) | — | |
| SCHEMBL6421291 | 0.64 | TP53 (0.32) | — | |
| SCHEMBL6422093 | 0.64 | PTGS2 (0.36) | — | |
| SCHEMBL6421108 | 0.63 | KMT2A (0.40) | — | |
| SCHEMBL6422583 | 0.62 | TSPO (0.35) | — | |
| SCHEMBL6423030 | 0.62 | TBXA2R (0.44) | — | |
| SCHEMBL27081945 | 0.60 | KDM1A (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1057814-B1 | TETRAHYDROBENZINDOLE DERIVATIVES | MEIJI SEIKA KAISHA (JP) | 2005-03-09 | — | — | EP | disclosed |
| US-6498251-B1 | Tetrahydrobenzindole derivatives | MEIJI SEIKA KAISHA, LTD. (JP) | 2002-12-24 | — | — | US | disclosed |
| EP-1057814-A1 | TETRAHYDROBENZINDOLE DERIVATIVES | Meiji Seika Kaisha, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |