⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27735547 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL27735608 | 0.73 | TSHR (0.34) | — | |
| SCHEMBL1536734 | 0.72 | — | — | |
| SCHEMBL2275108 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL28018162 | 0.70 | — | — | |
| SCHEMBL6716656 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL29242155 | 0.68 | — | — | |
| SCHEMBL7894728 | 0.68 | TDP1 (0.39) | — | |
| SCHEMBL6547844 | 0.67 | — | — | |
| SCHEMBL128926 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1051299-C | Tetrahydrophthamide derivative medium for preparation of same, preparation of same and herbcide which uses same as effective composition | SAGAMI CHEM RES (JP) | 2000-04-12 | — | — | CN | disclosed |
| CN-1084847-A | Tetrahydrochysene butyl benzene orthobenzol diacid amide derivative and its preparation intermediate and manufacture method thereof and with its weedicide as effective constituent | SAGAMI CHEM RES (JP) | 1994-04-06 | — | — | CN | disclosed |