⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2208458 | 0.79 | — | — | |
| SCHEMBL7794763 | 0.77 | — | — | |
| SCHEMBL6816463 | 0.74 | NPSR1 (0.48) | — | |
| SCHEMBL8575268 | 0.74 | ALDH1A1 (0.49) | — | |
| SCHEMBL9750541 | 0.73 | — | — | |
| SCHEMBL9050897 | 0.73 | — | — | |
| SCHEMBL9333083 | 0.72 | MEN1 (0.47) | — | |
| SCHEMBL11590594 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL11270561 | 0.71 | MEN1 (0.50) | — | |
| SCHEMBL11093802 | 0.70 | LMNA (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7288556-B2 | Antiproliferative 1,2,3-thiadiazole compounds | QLT INC. (CA) | 2007-10-30 | — | — | US | disclosed |
| US-5846990-A | Substituted biphenyl isoxazole sulfonamides | BRISTOL-MYERS SQUIBB CO. (US) | 1998-12-08 | — | — | US | disclosed |