⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12493429 | 0.65 | PBK (0.37) | — | |
| SCHEMBL28628562 | 0.64 | — | — | |
| SCHEMBL14952873 | 0.64 | — | — | |
| SCHEMBL9887529 | 0.63 | — | — | |
| SCHEMBL7444579 | 0.62 | — | — | |
| SCHEMBL7848043 | 0.62 | BCHE (0.32) | — | |
| Iodide SCHEMBL7846998 | 0.61 | — | — | |
| SCHEMBL6301634 | 0.59 | KMT2A (0.30) | — | |
| SCHEMBL6369317 | 0.59 | KMT2A (0.30) | — | |
| SCHEMBL7346464 | 0.59 | — | — |
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-1893613-A1 | HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006138604-A1 | HEXAHYDRO-PYRROLO-ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-12-28 | — | — | WO | disclosed |