⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873438 | 0.60 | — | — | |
| SCHEMBL1525846 | 0.53 | — | — | |
| SCHEMBL285825 | 0.53 | — | — | |
| SCHEMBL152107 | 0.53 | — | — | |
| Ethane SCHEMBL28293192 | 0.50 | — | — | |
| Ammonia Solution, Strong SCHEMBL14808976 | 0.50 | — | — | |
| SCHEMBL379483 | 0.50 | — | — | |
| SCHEMBL411434 | 0.50 | — | — | |
| SCHEMBL838621 | 0.50 | — | — | |
| SCHEMBL49561 | 0.50 | — | — |
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-63068589-A | — | — | None | — | — | JP | disclosed |
| JP-S6368589-A | CYCLOTRISILANES AND PRODUCTION THEREOF | MITSUI TOATSU CHEM INC | 1988-03-28 | — | — | JP | disclosed |