⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18659928 | 0.80 | — | — | |
| SCHEMBL10076956 | 0.79 | HPGD (0.31) | — | |
| SCHEMBL21120172 | 0.76 | HPGD (0.36) | — | |
| SCHEMBL18659982 | 0.75 | HPGD (0.36) | — | |
| SCHEMBL21322779 | 0.74 | — | — | |
| SCHEMBL19171189 | 0.73 | — | — | |
| SCHEMBL24983658 | 0.73 | HPGD (0.33) | — | |
| SCHEMBL20056990 | 0.73 | HPGD (0.34) | — | |
| SCHEMBL21322486 | 0.72 | — | — | |
| SCHEMBL19866738 | 0.72 | PSMB8 (0.31) | — |
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-3564674-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2019-11-06 | — | — | EP | disclosed |
| EP-3276349-A1 | HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE | Ventana Medical Systems, Inc. (US) | 2018-01-31 | — | — | EP | disclosed |