⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27885671 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7554855 | 0.95 | — | — | |
| SCHEMBL27335388 | 0.77 | PTGS2 (0.35) | — | |
| SCHEMBL27497637 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27516659 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27837469 | 0.73 | — | — | |
| SCHEMBL6906690 | 0.71 | — | — | |
| SCHEMBL6277205 | 0.71 | — | — | |
| SCHEMBL10633389 | 0.70 | — | — | |
| SCHEMBL1373408 | 0.70 | — | — |
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-115141298-A | Polyolefin resin and process for producing the same | DL化学株式会社 | 2022-10-04 | — | — | CN | disclosed |