⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73292 | 0.72 | — | — | |
| SCHEMBL20034064 | 0.72 | — | — | |
| SCHEMBL13826987 | 0.69 | — | — | |
| SCHEMBL19661572 | 0.69 | — | — | |
| SCHEMBL10183581 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL16015554 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL10212111 | 0.67 | — | — | |
| SCHEMBL6286512 | 0.67 | — | — | |
| SCHEMBL15314012 | 0.67 | SHBG (0.34) | — | |
| SCHEMBL21168590 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0082576-B1 | A PROCESS FOR THE HYDROFORMYLATION OF OLEFINS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-02-20 | — | — | EP | disclosed |