⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16691034 | 0.91 | — | — | |
| SCHEMBL14401832 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL11201539 | 0.88 | — | — | |
| SCHEMBL10553148 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL9935099 | 0.70 | — | — | |
| SCHEMBL24268430 | 0.70 | — | — | |
| SCHEMBL8744905 | 0.69 | — | — | |
| SCHEMBL6900404 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL4752145 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL8903874 | 0.67 | ALDH1A1 (0.37) | — |
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-3807274-B1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2022-07-27 | — | — | EP | disclosed |