⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3758991 | 0.72 | — | — | |
| SCHEMBL14840767 | 0.69 | — | — | |
| SCHEMBL15674930 | 0.65 | — | — | |
| SCHEMBL9475044 | 0.65 | — | — | |
| SCHEMBL14128149 | 0.62 | — | — | |
| SCHEMBL4544005 | 0.61 | — | — | |
| SCHEMBL9326896 | 0.57 | — | — | |
| SCHEMBL6699120 | 0.56 | — | — | |
| SCHEMBL6663234 | 0.55 | TSHR (0.42) | — | |
| SCHEMBL1507864 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4243883-A | — | — | None | — | — | JP | disclosed |
| JP-H04243883-A | PRODUCTION OF DIAMINOPROPYLDISILOXANE | CHISSO CORP | 1992-08-31 | — | — | JP | disclosed |