⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16593804 | 0.66 | — | — | |
| SCHEMBL2416561 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL6770040 | 0.58 | SLC6A4 (0.36) | — | |
| SCHEMBL449236 | 0.56 | — | — | |
| SCHEMBL4071277 | 0.56 | — | — | |
| SCHEMBL17536794 | 0.56 | MEN1 (0.30) | — | |
| SCHEMBL450690 | 0.52 | — | — | |
| SCHEMBL5081191 | 0.52 | — | — | |
| SCHEMBL23234106 | 0.48 | — | — | |
| SCHEMBL10383308 | 0.45 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0796890-A1 | Vulcanizable acrylic rubber composition | ENICHEM S.p.A. (IT) | 1997-09-24 | — | — | EP | disclosed |
| US-4128510-A | 2,5-DIMERCAPTO-1,3,4-THIADIAZOLES | HERCULES INCORPORATED (US) | 1978-12-05 | — | — | US | disclosed |