⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL875609 | 0.86 | — | — | |
| SCHEMBL10187694 | 0.72 | — | — | |
| SCHEMBL24507776 | 0.66 | TTR (0.35) | — | |
| SCHEMBL24571037 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL22025062 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL10597003 | 0.64 | — | — | |
| SCHEMBL20712750 | 0.64 | TSHR (0.35) | — | |
| SCHEMBL22025657 | 0.64 | TSHR (0.35) | — | |
| Oxirane SCHEMBL16538010 | 0.63 | TTR (0.42) | — | |
| Oxirane SCHEMBL1486009 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103626620-B | A kind of method of preparing butadiene and isoprene of being combined by hybrid C 4 | HUNAN BAILI ENGINEERING SCI & TECH CO.,LTD. (CN) | 2016-05-18 | — | — | CN | disclosed |