⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL435510 | 0.74 | CD81 (0.31) | — | |
| SCHEMBL28307575 | 0.62 | — | — | |
| SCHEMBL2407881 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL27665489 | 0.60 | — | — | |
| SCHEMBL21679576 | 0.57 | — | — | |
| SCHEMBL18374179 | 0.57 | — | — | |
| SCHEMBL3288566 | 0.56 | FFAR3 (0.36) | — | |
| SCHEMBL5981865 | 0.56 | — | — | |
| Oxirane SCHEMBL17997377 | 0.55 | SMN1; SMN2 (0.37) | — | |
| Oxirane SCHEMBL17997374 | 0.55 | SMN1; SMN2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112352170-A | Water extractable ophthalmic device | 鲍希与洛姆伯股份有限公司 | 2021-02-09 | — | — | CN | disclosed |