⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13824457 | 0.77 | BCHE (0.36) | — | |
| SCHEMBL18895954 | 0.76 | CCR1 (0.37) | — | |
| SCHEMBL18895964 | 0.75 | — | — | |
| SCHEMBL18895955 | 0.73 | CCR1 (0.38) | — | |
| SCHEMBL13824455 | 0.73 | — | — | |
| SCHEMBL18633823 | 0.71 | NR1D1 (0.32) | — | |
| SCHEMBL18633826 | 0.68 | CHRM2 (0.39) | — | |
| SCHEMBL655056 | 0.66 | CCR1 (0.58) | — | |
| SCHEMBL655057 | 0.66 | CCR1 (0.58) | — | |
| SCHEMBL14420171 | 0.66 | CCR1 (0.40) | — |
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-20070060592-A1 | heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation | MILLENNIUM PHARMACEUTICALS, INC. | 2007-03-15 | — | — | US | disclosed |