⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25097393 | 0.82 | — | — | |
| SCHEMBL2030745 | 0.77 | — | — | |
| SCHEMBL28211093 | 0.76 | — | — | |
| SCHEMBL14002551 | 0.76 | — | — | |
| SCHEMBL20143585 | 0.74 | — | — | |
| SCHEMBL27829604 | 0.74 | — | — | |
| SCHEMBL21301427 | 0.71 | — | — | |
| SCHEMBL19703441 | 0.71 | — | — | |
| SCHEMBL25096420 | 0.64 | — | — | |
| SCHEMBL7906128 | 0.62 | NPSR1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3229844-B1 | ANTIBODY DRUG CONJUGATES WITH CELL PERMEABLE BCL-XL INHIBITORS | ABBVIE INC (US) | 2020-03-04 | — | — | EP | disclosed |
| EP-0173259-B1 | ANTIMICROBIAL SUSPENSIONS AND ANTIMICROBIAL HAIR TREATMENT COMPOSITIONS | Kao Corporation (JP) | 1991-11-06 | — | — | EP | disclosed |
| US-4832950-A | POLYVALENT METAL SALTS OF 2-MERCAPTOPYRIDINE-N-OXIDE | KAO CORPORATION (JP) | 1989-05-23 | — | — | US | disclosed |
| EP-0173259-A2 | Antimicrobial suspensions and antimicrobial hair treatment compositions | Kao Corporation (JP) | 1986-03-05 | — | — | EP | disclosed |