⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4465842 | 0.79 | USP2 (0.48) | — | |
| SCHEMBL6118063 | 0.79 | USP2 (0.48) | — | |
| SCHEMBL4465846 | 0.79 | USP2 (0.48) | — | |
| SCHEMBL7480571 | 0.78 | — | — | |
| SCHEMBL7480573 | 0.78 | — | — | |
| SCHEMBL7569192 | 0.77 | — | — | |
| SCHEMBL4730737 | 0.77 | — | — | |
| SCHEMBL18954410 | 0.74 | — | — | |
| SCHEMBL11829047 | 0.74 | — | — | |
| SCHEMBL29059948 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1281585-C | Cyclic diamine compounds having fused-ring groups | KOWA CO (JP) | 2006-10-25 | — | — | CN | disclosed |
| US-7087626-B2 | Pyrrole derivatives as pharmaceutical agents | ELI LILLY AND COMPANY (US) | 2006-08-08 | — | — | US | disclosed |
| CN-1599717-A | Cyclic diamine compounds having fused-ring groups | KOWA CO (JP) | 2005-03-23 | — | — | CN | disclosed |
| CN-1136039-A | [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives | HOFFMANN LA ROCHE (CH) | 1996-11-20 | — | — | CN | disclosed |