⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15062278 | 0.83 | NR3C1 (0.34) | — | |
| SCHEMBL30954923 | 0.79 | PLAU (0.34) | — | |
| SCHEMBL30954983 | 0.77 | S1PR4 (0.36) | — | |
| SCHEMBL3325025 | 0.69 | TAAR1 (0.33) | — | |
| SCHEMBL962723 | 0.66 | GRM5 (0.42) | — | |
| SCHEMBL2254115 | 0.66 | NR2E1 (0.53) | — | |
| SCHEMBL16339165 | 0.63 | TLR9 (0.41) | — | |
| Hydrochloric Acid SCHEMBL16339034 | 0.62 | TLR9 (0.41) | — | |
| Hydrochloric Acid SCHEMBL29256940 | 0.62 | TLR9 (0.41) | — | |
| SCHEMBL27217202 | 0.62 | HSD17B10 (0.40) | — |
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-4626546-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2025-10-08 | — | — | EP | disclosed |
| WO-2024116086-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2024-06-06 | — | — | WO | disclosed |