⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3861670 | 0.81 | — | — | |
| SCHEMBL1204641 | 0.77 | — | — | |
| SCHEMBL2852145 | 0.74 | NOTUM (0.32) | — | |
| SCHEMBL1040746 | 0.74 | NOTUM (0.32) | — | |
| SCHEMBL170375 | 0.72 | — | — | |
| SCHEMBL4439651 | 0.71 | — | — | |
| SCHEMBL441004 | 0.71 | — | — | |
| Water SCHEMBL2643978 | 0.71 | HCAR2 (0.41) | — | |
| SCHEMBL28287069 | 0.70 | P2RX7 (0.49) | — | |
| SCHEMBL3512368 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0242973-B1 | INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1991-07-17 | — | — | EP | disclosed |