⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL76856 | 0.97 | — | — | |
| SCHEMBL5917592 | 0.81 | NISCH (0.42) | — | |
| SCHEMBL27390433 | 0.79 | SLC6A4 (0.34) | — | |
| SCHEMBL921773 | 0.76 | CYP1A1 (0.42) | — | |
| SCHEMBL28112542 | 0.76 | SLC6A4 (0.50) | — | |
| SCHEMBL11764859 | 0.74 | — | — | |
| SCHEMBL83839 | 0.73 | ALDH1A1 (0.58) | — | |
| SCHEMBL2107556 | 0.71 | MAPT (0.44) | — | |
| SCHEMBL1712836 | 0.71 | NR1H2 (0.40) | — | |
| SCHEMBL26106467 | 0.70 | ALDH1A1 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105579444-B | Piperidinylindole derivatives and their use as complement factor B inhibitors | 诺华股份有限公司 | 2018-05-01 | — | — | CN | disclosed |
| CN-105579444-A | Piperidinylindole derivatives and their use as complement factor B inhibitors | NOVARTIS AG | 2016-05-11 | — | — | CN | disclosed |