⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21659819 | 0.79 | CYP3A4 (0.37) | — | |
| SCHEMBL21660018 | 0.77 | CYP3A4 (0.47) | — | |
| SCHEMBL28208489 | 0.73 | — | — | |
| SCHEMBL8406287 | 0.71 | SIGMAR1 (0.33) | — | |
| SCHEMBL2495712 | 0.71 | — | — | |
| SCHEMBL2496096 | 0.68 | — | — | |
| SCHEMBL2499598 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL3911870 | 0.64 | — | — | |
| SCHEMBL6908034 | 0.63 | — | — | |
| SCHEMBL2493464 | 0.62 | DNM1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020020714-A1 | MULTI-AZIRIDINE COMPOUND | DSM IP ASSETS B.V. (NL) | 2020-01-30 | — | — | WO | disclosed |