⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18654031 | 0.72 | — | — | |
| SCHEMBL1784489 | 0.72 | — | — | |
| SCHEMBL466206 | 0.72 | — | — | |
| SCHEMBL18998307 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL2687387 | 0.70 | SLC6A3 (0.39) | — | |
| SCHEMBL16078309 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL18545393 | 0.70 | SLC6A3 (0.39) | — | |
| SCHEMBL18881139 | 0.70 | — | — | |
| SCHEMBL22336118 | 0.69 | APP (0.32) | — | |
| SCHEMBL11853474 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0566030-B1 | Process for producing optically active olefin | KURARAY CO (JP) | 1999-11-10 | — | — | EP | disclosed |
| US-5600047-A | Process for producing optically active olefin | KURARAY CO., LTD. (JP) | 1997-02-04 | — | — | US | disclosed |
| EP-0566030-A2 | Process for producing optically active olefin | Kuraray Co., Ltd. (JP) | 1993-10-20 | — | — | EP | disclosed |