⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14487631 | 0.80 | HCAR2 (0.34) | — | |
| SCHEMBL16200278 | 0.78 | HCAR2 (0.32) | — | |
| SCHEMBL20471489 | 0.76 | DHODH (0.33) | — | |
| SCHEMBL2874012 | 0.76 | P2RX7 (0.30) | — | |
| SCHEMBL19634996 | 0.73 | — | — | |
| SCHEMBL6886836 | 0.71 | DHODH (0.32) | — | |
| SCHEMBL20471491 | 0.69 | HCAR2 (0.36) | — | |
| SCHEMBL5433949 | 0.67 | — | — | |
| SCHEMBL13184398 | 0.67 | — | — | |
| SCHEMBL22302563 | 0.67 | GPR35 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458459-B1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |
| WO-2017198341-A1 | MACROCYCLIC INDOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2017-11-23 | — | — | WO | disclosed |
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |
| US-7589199-B2 | Substituted piperazines | CHEMOCENTRYX, INC. (US) | 2009-09-15 | — | — | US | disclosed |