⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9580543 | 0.82 | — | — | |
| SCHEMBL11590284 | 0.80 | — | — | |
| SCHEMBL4969274 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL3869793 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL3402117 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL9494866 | 0.69 | — | — | |
| SCHEMBL31688091 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL31688088 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL25415071 | 0.67 | — | — | |
| SCHEMBL6783436 | 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 |
|---|---|---|---|---|---|---|---|
| JP-57045142-A | — | — | None | — | — | JP | disclosed |
| JP-S5745142-A | PREPARATION OF XYLYLENE GLYCOL SUBSTITUTION PRODUCT | SHOWA DENKO KK | 1982-03-13 | — | — | JP | disclosed |