⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL994752 | 0.75 | — | — | |
| SCHEMBL28696576 | 0.73 | — | — | |
| SCHEMBL18277306 | 0.71 | — | — | |
| SCHEMBL21451478 | 0.69 | CETP (0.43) | — | |
| SCHEMBL18277101 | 0.65 | — | — | |
| SCHEMBL25557 | 0.64 | — | — | |
| SCHEMBL11486341 | 0.64 | — | — | |
| SCHEMBL29014648 | 0.62 | — | — | |
| SCHEMBL9546082 | 0.62 | — | — | |
| SCHEMBL28218512 | 0.62 | TSHR (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6022722-A | REGENERATION OF DENATURED POLYPEPTIDE; CONTACTING A DENATURED POLYPEPTIDE ADSORBED TO SOLID SUPPORT WITH TRIFLUOROETHANOL | HUELS AKTIENGESELLSCHAFT (DE) | 2000-02-08 | — | — | US | disclosed |