⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6274263 | 0.88 | — | — | |
| SCHEMBL6274623 | 0.79 | — | — | |
| SCHEMBL6277363 | 0.74 | CYP17A1 (0.31) | — | |
| SCHEMBL6281472 | 0.73 | ABCB1 (0.33) | — | |
| SCHEMBL6278095 | 0.72 | MRGPRX4 (0.32) | — | |
| SCHEMBL6276945 | 0.70 | MAOB (0.38) | — | |
| SCHEMBL6278256 | 0.68 | — | — | |
| SCHEMBL8409057 | 0.68 | HTR1A (0.37) | — | |
| SCHEMBL6277051 | 0.67 | ABCB1 (0.34) | — | |
| SCHEMBL6280559 | 0.66 | PRMT5 (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 |
|---|---|---|---|---|---|---|---|
| WO-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | WO | claimed |
| WO-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | WO | disclosed |