⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1668595 | 0.88 | — | — | |
| SCHEMBL1668390 | 0.88 | — | — | |
| SCHEMBL49728 | 0.88 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL1820282 | 0.84 | — | — | |
| SCHEMBL7059252 | 0.84 | — | — | |
| SCHEMBL1668311 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL28243926 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL11208123 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL11618183 | 0.80 | — | — | |
| SCHEMBL9350167 | 0.79 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190153123-A1 | TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND RUBBER ARTICLE | BRIDGESTONE CORPORATION (JP) | 2019-05-23 | — | — | US | disclosed |
| EP-0102503-A2 | Process for producing a catalyst component used for the polymerization of alpha-olefins | TOYO STAUFFER CHEMICAL CO. LTD. (JP) | 1984-03-14 | — | — | EP | disclosed |