⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28854289 | 0.76 | — | — | |
| SCHEMBL22736 | 0.68 | — | — | |
| SCHEMBL27795513 | 0.63 | — | — | |
| Methane SCHEMBL4794143 | 0.63 | — | — | |
| SCHEMBL5937505 | 0.63 | — | — | |
| Krypton SCHEMBL5173695 | 0.63 | — | — | |
| Ammonia Solution, Strong SCHEMBL9068180 | 0.63 | — | — | |
| Helium SCHEMBL5937452 | 0.63 | — | — | |
| Cyanate SCHEMBL1585149 | 0.59 | — | — | |
| Cyanate SCHEMBL4127110 | 0.59 | — | — |
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-20170044161-A1 | TRICYCLIC COMPOUND AND JAK INHIBITOR | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-02-16 | — | — | US | disclosed |