⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8034271 | 0.86 | SLC6A4 (0.31) | — | |
| SCHEMBL8651270 | 0.71 | — | — | |
| SCHEMBL2012131 | 0.69 | — | — | |
| SCHEMBL2292526 | 0.67 | — | — | |
| SCHEMBL431503 | 0.66 | — | — | |
| SCHEMBL2292620 | 0.65 | — | — | |
| SCHEMBL5383785 | 0.64 | SLC6A4 (0.32) | — | |
| SCHEMBL15303197 | 0.64 | — | — | |
| SCHEMBL8164987 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL28915658 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5144485-A | Polysiloxane containing amino group and polysiloxane containing epoxy group, wear resistance | ASAHI KOGAKU KOGYO K.K. (JP) | 1992-09-01 | — | — | US | disclosed |