⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11204788 | 1.00 | — | — | |
| SCHEMBL1323866 | 1.00 | — | — | |
| SCHEMBL790580 | 0.92 | — | — | |
| SCHEMBL11206084 | 0.83 | CYP3A4 (0.48) | — | |
| SCHEMBL9343544 | 0.83 | CYP3A4 (0.48) | — | |
| SCHEMBL11245290 | 0.83 | CYP3A4 (0.48) | — | |
| SCHEMBL791070 | 0.81 | THRA (0.31) | — | |
| SCHEMBL452809 | 0.76 | — | — | |
| SCHEMBL17680 | 0.76 | — | — | |
| SCHEMBL10457366 | 0.76 | ALDH1A1 (0.31) | — |
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-0028796-B1 | COATED MAGNETIC METAL OR ALLOY PIGMENTS, PROCESS FOR THEIR PRODUCTION, AND THEIR USE | BAYER AG (DE) | 1983-07-13 | — | — | EP | disclosed |
| US-4325739-A | SILICIC ACID ESTERS | BAYER AKTIENGESELLSCHAFT (DE) | 1982-04-20 | — | — | US | disclosed |