⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16813530 | 0.94 | — | — | |
| SCHEMBL16813883 | 0.93 | — | — | |
| SCHEMBL16813414 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL16813615 | 0.86 | — | — | |
| SCHEMBL16813635 | 0.85 | — | — | |
| SCHEMBL16813151 | 0.85 | — | — | |
| SCHEMBL16714861 | 0.84 | — | — | |
| SCHEMBL16813428 | 0.84 | SIGMAR1 (0.31) | — | |
| SCHEMBL16813157 | 0.83 | LMNA (0.34) | — | |
| SCHEMBL16813936 | 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 |