⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7608560 | 0.75 | — | — | |
| SCHEMBL934987 | 0.73 | — | — | |
| SCHEMBL16136743 | 0.69 | — | — | |
| SCHEMBL1072967 | 0.67 | — | — | |
| SCHEMBL9864913 | 0.65 | — | — | |
| SCHEMBL671120 | 0.65 | — | — | |
| SCHEMBL8194134 | 0.63 | — | — | |
| SCHEMBL2370458 | 0.63 | — | — | |
| SCHEMBL9602948 | 0.63 | — | — | |
| SCHEMBL8327235 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5073644-A | Reinforced rubber additive | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 1991-12-17 | — | — | US | claimed |
| 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 |