⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6890492 | 0.80 | — | — | |
| SCHEMBL7111809 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL6885585 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL6883578 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL6888838 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL6698721 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL6888451 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL23701022 | 0.73 | — | — | |
| SCHEMBL219084 | 0.72 | — | — | |
| SCHEMBL4887580 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5164501-A | Vulcanization of silica filled rubbers | DEGUSSA AG (DE) | 1992-11-17 | — | — | US | disclosed |
| US-5073644-A | Reinforced rubber additive | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 1991-12-17 | — | — | US | disclosed |