⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9566706 | 0.91 | — | — | |
| SCHEMBL9566714 | 0.89 | — | — | |
| SCHEMBL9566660 | 0.84 | — | — | |
| SCHEMBL9566641 | 0.82 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL9566697 | 0.82 | — | — | |
| SCHEMBL7804307 | 0.81 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9566686 | 0.81 | — | — | |
| SCHEMBL9566652 | 0.81 | — | — | |
| SCHEMBL9566683 | 0.80 | — | — | |
| SCHEMBL1202914 | 0.77 | SMN1; SMN2 (0.47) | — |
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-0545866-A1 | Process for the preparation of trifluorobenzol derivatives | CIBA-GEIGY AG (CH) | 1993-06-09 | — | — | EP | claimed |
| EP-0545866-A1 | Process for the preparation of trifluorobenzol derivatives | CIBA-GEIGY AG (CH) | 1993-06-09 | — | — | EP | disclosed |