⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3655422 | 0.88 | — | — | |
| SCHEMBL302688 | 0.88 | — | — | |
| SCHEMBL29066926 | 0.81 | — | — | |
| SCHEMBL26982668 | 0.77 | — | — | |
| SCHEMBL1532678 | 0.76 | — | — | |
| SCHEMBL29066931 | 0.75 | — | — | |
| SCHEMBL7260609 | 0.72 | — | — | |
| SCHEMBL301818 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL370773 | 0.71 | DUT (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL29257761 | 0.70 | — | — |
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-3072487-A | — | — | None | — | — | JP | disclosed |
| JP-H0372487-A | 1,3-DI-TERT-BUTYL-1,3-DIMETHYL-1,3-DIALKOXYDISILOXANE | SHIN ETSU CHEM CO LTD | 1991-03-27 | — | — | JP | disclosed |