⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1161805 | 0.71 | — | — | |
| SCHEMBL7545482 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL4908741 | 0.67 | — | — | |
| SCHEMBL4048709 | 0.67 | — | — | |
| SCHEMBL9090972 | 0.67 | — | — | |
| SCHEMBL16053782 | 0.66 | — | — | |
| SCHEMBL19270303 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL27283753 | 0.66 | ALDH1A1 (0.32) | — | |
| SCHEMBL948432 | 0.64 | SSTR4 (0.31) | — | |
| SCHEMBL38323 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5625058-A | ACYLATION, DEFORMYLATION AND EVAPORATION | FARMABIOS S.R.1. (IT) | 1997-04-29 | — | — | US | claimed |