⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35472 | 0.72 | — | — | |
| SCHEMBL11700813 | 0.69 | — | — | |
| SCHEMBL26767654 | 0.66 | MLYCD (0.32) | — | |
| SCHEMBL282872 | 0.66 | — | — | |
| Acetic Acid SCHEMBL20607654 | 0.65 | FFAR3 (0.41) | — | |
| SCHEMBL7942433 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL18458429 | 0.65 | CHRM2 (0.31) | — | |
| SCHEMBL19785481 | 0.65 | TDP1 (0.39) | — | |
| SCHEMBL132478 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL3026917 | 0.64 | — | — |
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-2018013789-A1 | HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS | INCYTE CORPORATION (US) | 2018-01-18 | — | — | WO | disclosed |