⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6813469 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL20609973 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL15629139 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL23027968 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL17607582 | 0.73 | — | — | |
| SCHEMBL24736823 | 0.72 | — | — | |
| SCHEMBL83545 | 0.72 | — | — | |
| SCHEMBL21848915 | 0.70 | — | — | |
| SCHEMBL1110085 | 0.69 | ANPEP (0.32) | — | |
| SCHEMBL24845386 | 0.69 | — | — |
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-4439314-A | DODECYLMERCAPTAN, SODIUM ISOPROPYLXANTHATE, AND A POLYALKYLENE GLYCOL | PHILLIPS PETROLEUM COMPANY (US) | 1984-03-27 | — | — | US | disclosed |
| EP-0038076-A1 | Method for removing iron impurities from glass-making sand | PHILLIPS PETROLEUM COMPANY (US) | 1981-10-21 | — | — | EP | disclosed |