⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1231933 | 0.80 | AR (0.36) | — | |
| SCHEMBL10615170 | 0.76 | — | — | |
| SCHEMBL11707298 | 0.76 | — | — | |
| SCHEMBL1307761 | 0.75 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL11663371 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL146938 | 0.70 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL645556 | 0.70 | LMNA (0.42) | — | |
| SCHEMBL10913987 | 0.68 | CA1 (0.48) | — | |
| SCHEMBL7691395 | 0.67 | — | — | |
| SCHEMBL76856 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104379560-A | Benzamide derivative | CHUGAI PHARMACEUTICAL CO LTD | 2015-02-25 | — | — | CN | disclosed |