⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL381734 | 0.89 | — | — | |
| SCHEMBL14224182 | 0.89 | — | — | |
| SCHEMBL12825053 | 0.89 | — | — | |
| SCHEMBL127505 | 0.74 | SLC6A2 (0.31) | — | |
| SCHEMBL1044479 | 0.74 | — | — | |
| SCHEMBL555028 | 0.74 | — | — | |
| SCHEMBL8235057 | 0.74 | — | — | |
| Tetrahydrofuran SCHEMBL28754477 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL4537329 | 0.72 | — | — | |
| SCHEMBL2948865 | 0.72 | — | — |
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-5547982-A | CONTAIN AT LEAST ONE FUNCTIONAL KETONE OR ALDEHYDE GROUP, OPTIONALLY CONJUGATED AS A LINKABLE HYDRAZONE COMPLEX | JOHNSON MATTHEY, INC. (US) | 1996-08-20 | — | — | US | disclosed |