⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24864982 | 0.78 | CA2 (0.34) | — | |
| SCHEMBL26078770 | 0.76 | ESR1 (0.40) | — | |
| SCHEMBL5557998 | 0.75 | CA2 (0.32) | — | |
| SCHEMBL22416842 | 0.75 | CA2 (0.32) | — | |
| SCHEMBL15033329 | 0.75 | — | — | |
| SCHEMBL9927218 | 0.73 | KMT2A (0.47) | — | |
| SCHEMBL22131988 | 0.70 | HPGD (0.39) | — | |
| SCHEMBL15679898 | 0.70 | — | — | |
| SCHEMBL20198236 | 0.69 | HPGD (0.38) | — | |
| SCHEMBL20147233 | 0.68 | — | — |
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-3464418-B1 | POLYMERS, PROCESSES, COMPOSITIONS & USES | DSM IP ASSETS BV (NL) | 2020-11-18 | — | — | EP | disclosed |
| WO-2017203044-A2 | POLYMERS, PROCESSES, COMPOSITIONS & USES | DSM IP ASSETS B.V. (NL) | 2017-11-30 | — | — | WO | disclosed |