⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8636103 | 0.81 | — | — | |
| SCHEMBL235669 | 0.73 | — | — | |
| SCHEMBL5969445 | 0.72 | — | — | |
| SCHEMBL14571990 | 0.69 | — | — | |
| SCHEMBL9335855 | 0.69 | — | — | |
| SCHEMBL10800044 | 0.69 | — | — | |
| SCHEMBL2240535 | 0.69 | — | — | |
| SCHEMBL899456 | 0.67 | — | — | |
| SCHEMBL21208 | 0.67 | — | — | |
| SCHEMBL3250426 | 0.67 | TSHR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4512926-A | Process for the silylation of unsaturated, naturally occurring oils or the interesterification products thereof | CHEMISCHE WERKE HUELS AG (DE) | 1985-04-23 | — | — | US | disclosed |
| US-4396751-A | Homo- and copolymers of 1,3-dienes containing reactive silyl groups, and their preparation and use | CHEMISCHE WERKE HUELS AKTIENGESELLSCHAFT (DE) | 1983-08-02 | — | — | US | disclosed |
| US-4381377-A | Homo- or copolymers of 1,3-dienes carrying reactive silyl groups, their preparation and use | CHEMISCHE WERKE HUELS, AG (DE) | 1983-04-26 | — | — | US | disclosed |