⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24839526 | 0.75 | — | — | |
| SCHEMBL24068002 | 0.73 | — | — | |
| SCHEMBL7288200 | 0.71 | — | — | |
| SCHEMBL20746020 | 0.71 | — | — | |
| SCHEMBL7284627 | 0.67 | — | — | |
| SCHEMBL7136959 | 0.62 | — | — | |
| SCHEMBL10466472 | 0.62 | — | — | |
| SCHEMBL10466928 | 0.62 | — | — | |
| SCHEMBL20976729 | 0.61 | — | — | |
| SCHEMBL21368661 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-56084721-A | — | — | None | — | — | JP | disclosed |
| JP-2004210717-A | METHOD FOR MANUFACTURING ALLYLAMINE | KOEI CHEM CO LTD | 2004-07-29 | — | — | JP | disclosed |
| JP-S5684721-A | PRODUCTION OF ORGANOPOLYSILOXANE | SHIN ETSU CHEM CO LTD | 1981-07-10 | — | — | JP | disclosed |