⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8904781 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL20658172 | 0.72 | — | — | |
| SCHEMBL1042228 | 0.71 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL10692227 | 0.65 | — | — | |
| SCHEMBL164343 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL10455878 | 0.60 | — | — | |
| SCHEMBL11317779 | 0.60 | — | — | |
| SCHEMBL600739 | 0.60 | — | — | |
| Water SCHEMBL3692872 | 0.60 | — | — | |
| SCHEMBL3343 | 0.60 | — | — |
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 |