⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18103118 | 0.97 | — | — | |
| SCHEMBL7309630 | 0.97 | — | — | |
| SCHEMBL1494096 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7781988 | 0.93 | — | — | |
| SCHEMBL18897588 | 0.90 | ALDH1A1 (0.40) | — | |
| SCHEMBL2486901 | 0.82 | — | — | |
| SCHEMBL23340759 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL11332093 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL22004592 | 0.77 | CACNA2D1 (0.37) | — | |
| SCHEMBL12793762 | 0.75 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993001806-A1 | ENCAPSULATED PERFLUOROCARBONS | TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 1993-02-04 | — | — | WO | disclosed |