⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8921773 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL29771648 | 0.61 | — | — | |
| SCHEMBL188021 | 0.51 | — | — | |
| SCHEMBL8004943 | 0.40 | — | — | |
| SCHEMBL1300603 | 0.31 | — | — | |
| SCHEMBL11178675 | 0.29 | — | — | |
| SCHEMBL5512405 | 0.25 | — | — | |
| SCHEMBL29281954 | 0.25 | — | — | |
| SCHEMBL11709170 | 0.25 | — | — | |
| Iodide SCHEMBL28874790 | 0.25 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100190768-A1 | NOVEL FUSED PYROLE DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2010-07-29 | — | — | US | disclosed |
| EP-1930320-A1 | NOVEL FUSED PYRROLE DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2008-06-11 | — | — | EP | disclosed |