⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11062389 | 0.83 | — | — | |
| SCHEMBL11616632 | 0.82 | — | — | |
| SCHEMBL11616634 | 0.82 | — | — | |
| SCHEMBL11064608 | 0.78 | — | — | |
| SCHEMBL3870701 | 0.72 | APEX1 (0.33) | — | |
| SCHEMBL10708826 | 0.70 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL701380 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL10883048 | 0.65 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL3062687 | 0.64 | LMNA (0.31) | — | |
| SCHEMBL24840437 | 0.62 | — | — |
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-4468521-A | Method of producing gamma-halogeno-delta unsaturated carboxylic acid esters | KURARAY CO., LTD. (JP) | 1984-08-28 | — | — | US | disclosed |
| US-4458090-A | RECYCLING LACTONE BY-PRODUCT | KURARAY CO., LTD. (JP) | 1984-07-03 | — | — | US | disclosed |