⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4287880 | 0.78 | HTR2A (0.32) | — | |
| SCHEMBL5455198 | 0.72 | — | — | |
| SCHEMBL11522859 | 0.64 | P2RY6 (0.33) | — | |
| SCHEMBL30483496 | 0.64 | HTR2A (0.34) | — | |
| SCHEMBL28839808 | 0.64 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL9248499 | 0.60 | — | — | |
| SCHEMBL16875847 | 0.60 | — | — | |
| SCHEMBL1664032 | 0.60 | HTR6 (0.32) | — | |
| SCHEMBL6168467 | 0.59 | GPR84 (0.33) | — | |
| SCHEMBL6587060 | 0.58 | HTR2A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1923387-B1 | ACYLGUANIDINE DERIVATIVE OR SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2011-10-19 | — | — | EP | claimed |