⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5427524 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL27388515 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL3798056 | 0.91 | MEN1 (0.48) | — | |
| SCHEMBL10613666 | 0.88 | TSHR (0.44) | — | |
| SCHEMBL27722341 | 0.85 | — | — | |
| SCHEMBL25170882 | 0.83 | TSHR (0.61) | — | |
| SCHEMBL309262 | 0.82 | CA1 (0.40) | — | |
| SCHEMBL8070734 | 0.82 | CA1 (0.40) | — | |
| SCHEMBL309211 | 0.82 | — | — | |
| SCHEMBL9799480 | 0.82 | SMN1; SMN2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1035179-B1 | Ink-jet printing ink compositions having superior smear-fastness | HEWLETT PACKARD CO (US) | 2006-02-22 | — | — | EP | claimed |