⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1737730 | 0.99 | — | — | |
| SCHEMBL1737328 | 0.82 | DHFR (0.32) | — | |
| Hydrochloric Acid SCHEMBL1737557 | 0.81 | DHFR (0.32) | — | |
| SCHEMBL1737129 | 0.80 | MAPT (0.33) | — | |
| SCHEMBL1739311 | 0.80 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL1736502 | 0.80 | MAPT (0.33) | — | |
| Hydrochloric Acid SCHEMBL5806396 | 0.79 | SSTR4 (0.35) | — | |
| SCHEMBL1737506 | 0.79 | RAB9A (0.34) | — | |
| Hydrochloric Acid SCHEMBL1736865 | 0.79 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL1737288 | 0.78 | RAB9A (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784404-B1 | PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | YUHAN CORP (KR) | 2011-11-16 | — | — | EP | claimed |
| US-20110263306-A1 | COMPUTER SYSTEM AND PROGRAM | NAMCO BANDAI GAMES INC. (JP) | 2011-10-27 | — | — | US | claimed |