⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19986520 | 0.70 | — | — | |
| SCHEMBL3343490 | 0.69 | — | — | |
| SCHEMBL27871174 | 0.69 | — | — | |
| SCHEMBL31351371 | 0.67 | — | — | |
| SCHEMBL4253417 | 0.67 | — | — | |
| SCHEMBL8520266 | 0.67 | — | — | |
| SCHEMBL975018 | 0.67 | — | — | |
| SCHEMBL18470886 | 0.65 | — | — | |
| SCHEMBL31351453 | 0.64 | — | — | |
| SCHEMBL1981824 | 0.63 | — | — |
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 |