⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13078501 | 1.00 | — | — | |
| SCHEMBL7593963 | 0.63 | — | — | |
| SCHEMBL12654724 | 0.61 | NOS3 (0.31) | — | |
| SCHEMBL4451955 | 0.61 | — | — | |
| SCHEMBL14157769 | 0.61 | — | — | |
| SCHEMBL20726919 | 0.60 | NOS3 (0.32) | — | |
| SCHEMBL20454591 | 0.60 | — | — | |
| SCHEMBL13078503 | 0.58 | — | — | |
| SCHEMBL14426443 | 0.58 | — | — | |
| SCHEMBL11775183 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070208033-A1 | For use as antimetastatic agent or antiviral agent for HIV infection; N-(4-dipropylaminomethylphenyl)-4-{[(1H-imidazol-2-ylmethyl)-(1-methyl-1H-imidazol-2-ylmethyl)-amino]-methyl}-benzamide; chemokine receptor CXCR4 antagonists | KUREHA CORPORATION (JP) | 2007-09-06 | — | — | US | disclosed |