⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17616065 | 1.00 | — | — | |
| SCHEMBL18470887 | 0.93 | — | — | |
| SCHEMBL17474340 | 0.91 | — | — | |
| SCHEMBL17474341 | 0.91 | — | — | |
| SCHEMBL18470892 | 0.89 | — | — | |
| SCHEMBL17227919 | 0.89 | — | — | |
| SCHEMBL27154042 | 0.83 | — | — | |
| SCHEMBL863441 | 0.81 | — | — | |
| SCHEMBL863440 | 0.81 | — | — | |
| SCHEMBL17209478 | 0.79 | — | — |
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-20180079867-A1 | ROOM TEMPERATURE-CURABLE ORGANOPOLYSILOXANE COMPOSITION AND CURED PRODUCT THEREOF | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2018-03-22 | — | — | US | disclosed |