⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4581201 | 0.79 | — | — | |
| SCHEMBL1345605 | 0.77 | DAO (0.35) | — | |
| SCHEMBL3817972 | 0.74 | FKBP5 (0.38) | — | |
| SCHEMBL9752697 | 0.74 | — | — | |
| SCHEMBL7265873 | 0.74 | — | — | |
| SCHEMBL456256 | 0.72 | DAO (0.32) | — | |
| SCHEMBL75926 | 0.72 | — | — | |
| SCHEMBL4409393 | 0.72 | — | — | |
| SCHEMBL6284676 | 0.72 | DAO (0.32) | — | |
| SCHEMBL10366551 | 0.72 | DAO (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776903-B2 | Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles | GRUENENTHAL GMBH (DE) | 2010-08-17 | — | — | US | disclosed |
| US-20050272782-A1 | Pharmaceutical preparations containing substituted 2,5-diaminomethyl-1H-pyrroles | GRUENENTHAL GMBH (DE) | 2005-12-08 | — | — | US | disclosed |