⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22734139 | 0.88 | — | — | |
| SCHEMBL22734207 | 0.86 | RAB9A (0.33) | — | |
| SCHEMBL12476546 | 0.82 | — | — | |
| SCHEMBL9691475 | 0.82 | CHRM2 (0.30) | — | |
| SCHEMBL8482313 | 0.73 | — | — | |
| SCHEMBL22734169 | 0.71 | — | — | |
| SCHEMBL13301678 | 0.65 | — | — | |
| SCHEMBL1428304 | 0.62 | — | — | |
| SCHEMBL12017968 | 0.59 | — | — | |
| SCHEMBL15275272 | 0.59 | — | — |
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-10711075-B2 | Method of preparing rubber composition including syndiotactic 1,2-polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2020-07-14 | — | — | US | disclosed |
| US-20190023815-A1 | METHOD OF PREPARING RUBBER COMPOSITION INCLUDING SYNDIOTACTIC 1,2-POLYBUTADIENE | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2019-01-24 | — | — | US | disclosed |