⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28259789 | 0.79 | CD44 (0.42) | — | |
| SCHEMBL6889015 | 0.78 | CA2 (0.44) | — | |
| SCHEMBL29508342 | 0.77 | KDM4E (0.65) | — | |
| SCHEMBL81185 | 0.77 | KDM4E (0.65) | — | |
| SCHEMBL863708 | 0.77 | ALDH1A1 (0.62) | — | |
| SCHEMBL30979203 | 0.77 | KDM4E (0.65) | — | |
| SCHEMBL2285909 | 0.76 | GAA (0.69) | — | |
| SCHEMBL6289306 | 0.74 | KDM4E (0.62) | — | |
| SCHEMBL1361220 | 0.74 | KDM4E (0.62) | — | |
| SCHEMBL6293125 | 0.74 | KDM4E (0.62) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9202753-A | — | — | None | — | — | JP | disclosed |
| EP-2797592-B1 | COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY | PTC THERAPEUTICS INC (US) | 2019-08-28 | — | — | EP | disclosed |
| JP-H09202753-A | PHENOXY-2-AMINOALCOHOL DERIVATIVE AND ITS PRODUCTION | UBE IND LTD | 1997-08-05 | — | — | JP | disclosed |