⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8560804 | 0.61 | BRD4 (0.37) | — | |
| SCHEMBL8555634 | 0.61 | BRD4 (0.36) | — | |
| Methane SCHEMBL8559022 | 0.59 | PDK2 (0.30) | — | |
| SCHEMBL8558415 | 0.56 | — | — | |
| SCHEMBL9095617 | 0.49 | AQP1 (0.34) | — | |
| SCHEMBL9096051 | 0.49 | SIGMAR1 (0.30) | — | |
| SCHEMBL9094209 | 0.49 | ADRB2 (0.31) | — | |
| SCHEMBL11897723 | 0.49 | — | — | |
| SCHEMBL11987188 | 0.46 | — | — | |
| SCHEMBL15730347 | 0.46 | CA12 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0653426-B1 | Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same | KOWA CO (JP) | 1998-07-22 | — | — | EP | disclosed |
| EP-0653426-A1 | Indole derivatives, salts thereof and heart affection therapeutic agent comprising the same | KOWA COMPANY, LTD. (JP) | 1995-05-17 | — | — | EP | disclosed |