⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14748121 | 0.80 | HRH3 (0.30) | — | |
| SCHEMBL18685373 | 0.80 | — | — | |
| SCHEMBL18500438 | 0.79 | — | — | |
| SCHEMBL27354448 | 0.78 | — | — | |
| SCHEMBL21498158 | 0.78 | GNAI3 (0.36) | — | |
| SCHEMBL18885421 | 0.77 | SHBG (0.34) | — | |
| SCHEMBL10236309 | 0.77 | SHBG (0.39) | — | |
| SCHEMBL20178652 | 0.77 | SHBG (0.39) | — | |
| SCHEMBL24090567 | 0.77 | — | — | |
| SCHEMBL21066239 | 0.76 | CHRNB2 (0.42) | — |
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-2389372-B1 | COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY | RIGEL PHARMACEUTICALS INC (US) | 2015-09-09 | — | — | EP | disclosed |