⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16813409 | 0.95 | — | — | |
| SCHEMBL16813268 | 0.93 | — | — | |
| SCHEMBL16813447 | 0.91 | — | — | |
| SCHEMBL16813677 | 0.88 | — | — | |
| SCHEMBL16813829 | 0.85 | — | — | |
| SCHEMBL16813270 | 0.85 | — | — | |
| SCHEMBL16813780 | 0.85 | — | — | |
| SCHEMBL16813151 | 0.84 | — | — | |
| SCHEMBL16813894 | 0.84 | — | — | |
| SCHEMBL16813683 | 0.83 | — | — |
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-9062182-B2 | Terminal modifier for conjugated diene polymers | KOREA KUMBO PETROCHEMICAL CO., LTD. (KR) | 2015-06-23 | — | — | US | claimed |
| US-9062182-B2 | Terminal modifier for conjugated diene polymers | KOREA KUMBO PETROCHEMICAL CO., LTD. (KR) | 2015-06-23 | — | — | US | disclosed |