⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5966268 | 0.88 | — | — | |
| SCHEMBL5966217 | 0.77 | ABAT (0.48) | — | |
| SCHEMBL301156 | 0.75 | — | — | |
| SCHEMBL386842 | 0.74 | — | — | |
| SCHEMBL20295616 | 0.74 | — | — | |
| SCHEMBL20295819 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11536308 | 0.73 | — | — | |
| SCHEMBL8927012 | 0.71 | SLC6A1 (0.38) | — | |
| SCHEMBL3175913 | 0.71 | ABAT (0.48) | — | |
| SCHEMBL3227707 | 0.69 | — | — |
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-4052373-A | O-AMINOESTER | FUJI PHOTO FILM CO., LTD. (JA) | 1977-10-04 | — | — | US | disclosed |