⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3991309 | 0.77 | TSHR (0.61) | — | |
| SCHEMBL23239 | 0.77 | — | — | |
| SCHEMBL10786340 | 0.74 | TSHR (0.58) | — | |
| Phosphine SCHEMBL22230521 | 0.74 | TSHR (0.58) | — | |
| SCHEMBL3645067 | 0.74 | TSHR (0.58) | — | |
| Fluoride SCHEMBL28376896 | 0.74 | TSHR (0.58) | — | |
| SCHEMBL1395277 | 0.74 | TSHR (0.58) | — | |
| Hydrochloric Acid SCHEMBL31618288 | 0.74 | TSHR (0.58) | — | |
| SCHEMBL13388639 | 0.73 | CYP3A4 (0.46) | — | |
| SCHEMBL10489573 | 0.71 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339198-A | Method for producing thermoreversibly crosslinked polypropylene systems | SABIC环球技术有限责任公司 | 2024-07-12 | — | — | CN | disclosed |