⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL340265 | 0.86 | CA1 (0.30) | — | |
| Bromide SCHEMBL9709415 | 0.83 | — | — | |
| SCHEMBL19991484 | 0.78 | — | — | |
| SCHEMBL21812049 | 0.75 | ADRB2 (0.41) | — | |
| SCHEMBL27503961 | 0.71 | — | — | |
| SCHEMBL21812069 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL2101358 | 0.69 | — | — | |
| SCHEMBL188017 | 0.69 | — | — | |
| SCHEMBL339180 | 0.67 | ADRB2 (0.45) | — | |
| SCHEMBL5005528 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109923136-B | Modified conjugated diene polymer and rubber composition containing same | 株式会社LG化学 | 2021-12-28 | — | — | CN | disclosed |
| WO-2019216636-A1 | MODIFIED CONJUGATED DIENE POLYMER AND RUBBER COMPOSITION COMPRISING SAME | 주식회사 엘지화학 (KR) | 2019-11-14 | — | — | WO | disclosed |
| WO-2019216645-A1 | MODIFIED CONJUGATED DIENE-BASED POLYMER AND RUBBER COMPOSITION COMPRISING SAME | 주식회사 엘지화학 (KR) | 2019-11-14 | — | — | WO | disclosed |