⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28467505 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL13314371 | 0.72 | — | — | |
| SCHEMBL8373382 | 0.72 | — | — | |
| SCHEMBL11872373 | 0.72 | — | — | |
| SCHEMBL23978043 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL4055377 | 0.71 | — | — | |
| SCHEMBL28757069 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL29144352 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL16860605 | 0.65 | — | — | |
| SCHEMBL2324625 | 0.63 | — | — |
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-0031932-A2 | Substituted lactones, pentanoic acid derivatives and process for their preparation | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1981-07-15 | — | — | EP | disclosed |