⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11060020 | 0.78 | — | — | |
| SCHEMBL2561779 | 0.71 | — | — | |
| SCHEMBL16969749 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL16970206 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL16969800 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL9359650 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL2564644 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL16969730 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL2563819 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL2566336 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4321231-A | IN TH PRESENCE OF AN ACID, USING A TELLURIUM OR SELENIUM COMPOUND | ATLANTIC RICHFIELD COMPANY (US) | 1982-03-23 | — | — | US | disclosed |
| US-4238551-A | RHODIUM COATING, ACID RESISTANCE | HALCON RESEARCH & DEVELOPMENT CORPORATION (US) | 1980-12-09 | — | — | US | disclosed |
| US-4153806-A | Recovery of vicinal glycol esters by plural stage distillation | HALCON RESEARCH AND DEVELOPMENT CORP. (US) | 1979-05-08 | — | — | US | disclosed |