⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL639478 | 0.64 | — | — | |
| SCHEMBL27279791 | 0.60 | — | — | |
| SCHEMBL4556299 | 0.57 | — | — | |
| SCHEMBL31643686 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL16543602 | 0.50 | FFAR3 (0.33) | — | |
| Acetic Acid SCHEMBL1023612 | 0.47 | — | — | |
| Benzene SCHEMBL11307929 | 0.44 | LMNA (0.67) | — | |
| Benzene SCHEMBL11152373 | 0.44 | LMNA (0.67) | — | |
| Benzene SCHEMBL11765690 | 0.44 | LMNA (0.67) | — | |
| Benzene SCHEMBL10771333 | 0.44 | LMNA (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103797000-A | Amidine compound or salt thereof | TAISHO PHARMACEUTICAL CO LTD | 2014-05-14 | — | — | CN | disclosed |