⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5139381 | 0.91 | LMNA (0.48) | — | |
| SCHEMBL3627376 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL28202472 | 0.78 | — | — | |
| SCHEMBL6628952 | 0.76 | — | — | |
| SCHEMBL1737241 | 0.76 | — | — | |
| SCHEMBL10374940 | 0.76 | — | — | |
| SCHEMBL5363940 | 0.76 | — | — | |
| SCHEMBL11870573 | 0.76 | SLC22A6 (0.52) | — | |
| SCHEMBL7698896 | 0.76 | MAPT (0.58) | — | |
| SCHEMBL196027 | 0.76 | MAPT (0.37) | — |
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 |