⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28510380 | 0.88 | — | — | |
| SCHEMBL29168374 | 0.85 | — | — | |
| SCHEMBL28778000 | 0.82 | — | — | |
| SCHEMBL4304309 | 0.69 | NSD2 (0.30) | — | |
| SCHEMBL9628016 | 0.69 | — | — | |
| SCHEMBL21488375 | 0.68 | CXCR5 (0.34) | — | |
| SCHEMBL4304304 | 0.66 | OPRK1 (0.34) | — | |
| SCHEMBL18905807 | 0.66 | NPSR1 (0.31) | — | |
| SCHEMBL25691624 | 0.65 | — | — | |
| SCHEMBL31623216 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114685453-A | Heterocyclic prolinamide derivatives | 奥瑞恩眼科有限责任公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-109476637-B | Heterocyclic prolinamide derivatives | 奥瑞恩眼科有限责任公司 | 2022-02-01 | — | — | CN | disclosed |