⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28239294 | 0.76 | — | — | |
| SCHEMBL28444828 | 0.76 | — | — | |
| SCHEMBL28541499 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL7258064 | 0.72 | — | — | |
| SCHEMBL7257246 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL8689824 | 0.69 | NPC1 (0.31) | — | |
| SCHEMBL6803316 | 0.68 | — | — | |
| SCHEMBL28664742 | 0.68 | HSD17B10 (0.36) | — | |
| SCHEMBL7261530 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL8906766 | 0.67 | — | — |
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-110194824-A | A kind of porphyryl is from tool microporous polymer and its synthetic method | 江南大学 | 2019-09-03 | — | — | CN | disclosed |