⚠ 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 | |
|---|---|---|---|---|
| Crotonic Acid SCHEMBL6909279 | 1.00 | — | — | |
| Crotonic Acid SCHEMBL560763 | 0.96 | TSHR (0.57) | — | |
| Crotonic Acid SCHEMBL22034 | 0.96 | — | — | |
| Crotonic Acid SCHEMBL1080122 | 0.96 | TSHR (0.57) | — | |
| Crotonic Acid SCHEMBL167626 | 0.96 | TSHR (0.57) | — | |
| Crotonic Acid SCHEMBL28429 | 0.96 | — | — | |
| Crotonic Acid SCHEMBL1428157 | 0.96 | TSHR (0.57) | — | |
| Crotonic Acid SCHEMBL1427547 | 0.96 | TSHR (0.57) | — | |
| Crotonic Acid SCHEMBL22033 | 0.96 | — | — | |
| Crotonic Acid SCHEMBL6550773 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6830704-B2 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| US-20030135016-A1 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. | 2003-07-17 | — | — | US | disclosed |
| US-6547985-B1 | Adhesive mixture | TOGOSEI CO., LTD. (JP) | 2003-04-15 | — | — | US | disclosed |