⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27930025 | 0.81 | JAK1 (0.33) | — | |
| SCHEMBL27748375 | 0.80 | HTR2A (0.33) | — | |
| SCHEMBL28171821 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL28257301 | 0.68 | PDCD1 (0.32) | — | |
| SCHEMBL67235 | 0.67 | — | — | |
| SCHEMBL27880307 | 0.67 | — | — | |
| SCHEMBL27833361 | 0.66 | — | — | |
| SCHEMBL27812563 | 0.66 | — | — | |
| SCHEMBL20609763 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL27748503 | 0.65 | LTA4H (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008362-A | Pyrrolo [2,3-D ] pyrimidine derivatives as janus-related kinase (JAK) inhibitors | PFIZER | 2015-10-28 | — | — | CN | disclosed |