⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL305894 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL28213123 | 0.74 | TSHR (0.53) | — | |
| SCHEMBL9775298 | 0.74 | TSHR (0.53) | — | |
| SCHEMBL10875191 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL10595657 | 0.65 | LMNA (0.39) | — | |
| SCHEMBL167171 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL1055873 | 0.64 | — | — | |
| SCHEMBL14675258 | 0.62 | — | — | |
| SCHEMBL22977503 | 0.62 | TSHR (0.32) | — | |
| Isobutane SCHEMBL28312130 | 0.61 | TSHR (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6072007-A | USABLE FOR THE ELASTOMER AND POLYOLEFIN CURING IN GENERAL, HAVING AN IMPROVED SCORCH RESISTANCE | ELF ATOCHEM ITALIA S.R.L. (IT) | 2000-06-06 | — | — | US | claimed |