⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL901346 | 0.69 | GRM4 (0.32) | — | |
| SCHEMBL16064857 | 0.69 | GRM4 (0.32) | — | |
| SCHEMBL16064984 | 0.69 | GRM4 (0.32) | — | |
| SCHEMBL4190764 | 0.69 | GRM4 (0.32) | — | |
| SCHEMBL4186248 | 0.69 | GRM4 (0.32) | — | |
| SCHEMBL25000130 | 0.67 | — | — | |
| SCHEMBL6999244 | 0.67 | — | — | |
| SCHEMBL1263612 | 0.65 | — | — | |
| SCHEMBL17174257 | 0.65 | — | — | |
| SCHEMBL1263613 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |