⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7608545 | 0.73 | — | — | |
| SCHEMBL1721423 | 0.69 | — | — | |
| SCHEMBL219084 | 0.68 | — | — | |
| SCHEMBL7523496 | 0.67 | — | — | |
| SCHEMBL5528191 | 0.65 | FDPS (0.35) | — | |
| SCHEMBL465293 | 0.65 | — | — | |
| SCHEMBL27538017 | 0.65 | — | — | |
| SCHEMBL7629141 | 0.65 | — | — | |
| SCHEMBL5523107 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL31504612 | 0.65 | FDPS (0.36) | — |
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 |