⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2286989 | 0.69 | — | — | |
| SCHEMBL1577241 | 0.62 | — | — | |
| SCHEMBL2491827 | 0.57 | — | — | |
| SCHEMBL28198967 | 0.57 | — | — | |
| SCHEMBL9336237 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL28199037 | 0.55 | — | — | |
| Pimagedine SCHEMBL57796 | 0.55 | — | — | |
| SCHEMBL1577240 | 0.53 | — | — | |
| SCHEMBL26628 | 0.53 | — | — | |
| Carbamic Acid SCHEMBL28293987 | 0.52 | — | — |
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-2010091310-A1 | INHIBITORS OF JUN N-TERMINAL KINASE | ELAN PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |