⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7748638 | 0.86 | — | — | |
| SCHEMBL7118120 | 0.70 | — | — | |
| SCHEMBL8933506 | 0.68 | CA2 (0.30) | — | |
| SCHEMBL8641079 | 0.63 | — | — | |
| SCHEMBL30027143 | 0.63 | ALDH1A1 (0.48) | — | |
| SCHEMBL70068 | 0.63 | ALDH1A1 (0.48) | — | |
| SCHEMBL8641630 | 0.61 | HSD17B3 (0.34) | — | |
| SCHEMBL28420272 | 0.58 | NUDT1 (0.41) | — | |
| SCHEMBL8933444 | 0.58 | — | — | |
| SCHEMBL8933513 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996022772-A1 | METHOD FOR TREATING MULTIPLE SCLEROSIS | ELI LILLY AND COMPANY (US) | 1996-08-01 | — | — | WO | disclosed |