⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16091366 | 1.00 | — | — | |
| SCHEMBL1191101 | 0.83 | BIRC2 (0.50) | — | |
| SCHEMBL20492608 | 0.83 | BIRC2 (0.50) | — | |
| SCHEMBL9938927 | 0.83 | BIRC2 (0.50) | — | |
| Hydrochloric Acid SCHEMBL1190008 | 0.81 | BIRC2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL28565201 | 0.81 | BIRC2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL1190012 | 0.81 | BIRC2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL1190074 | 0.81 | BIRC2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL28565200 | 0.81 | BIRC2 (0.49) | — | |
| SCHEMBL13415936 | 0.79 | — | — |
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-2017081003-A1 | SUBSTITUTED PYRAZOLOPYRIDINAMINES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-05-18 | — | — | WO | disclosed |