⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6458418 | 0.80 | — | — | |
| SCHEMBL6037739 | 0.80 | — | — | |
| SCHEMBL8165436 | 0.79 | — | — | |
| SCHEMBL7857996 | 0.77 | — | — | |
| SCHEMBL6458422 | 0.77 | — | — | |
| SCHEMBL9316893 | 0.77 | ABCC4 (0.36) | — | |
| SCHEMBL5705449 | 0.75 | — | — | |
| SCHEMBL11618719 | 0.75 | — | — | |
| SCHEMBL9719983 | 0.72 | — | — | |
| SCHEMBL4639585 | 0.69 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0823454-B1 | Low halogen halobutyl rubbers | BAYER AG (DE) | 2001-01-10 | — | — | EP | disclosed |
| EP-0834531-B1 | Polymer compositions and their use for the vulcanisation of halogenated butylrubbers having low halogen contents | BAYER AG (DE) | 2000-08-30 | — | — | EP | disclosed |
| US-5889123-A | LOW HALOGEN CONTENT BUTYL RUBBER HAVING NON-HALOGENATED DOUBLE BONDS, ANTIAGGLOMERANTS/VULCANIZATION CONTROL AGENTS, POLYMER-BONDED BLENDS OF AMIDINES AND MERCAPTO COMPOUNDS; AGING RESISTANCE FOR TIRE INNER LINERS, SIDEWALLS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-03-30 | — | — | US | disclosed |
| US-5886106-A | VULCANIZATION PRODUCT; TIRES | BAYER AKTIENGESELLSCHAT (DE) | 1999-03-23 | — | — | US | disclosed |
| EP-0834531-A1 | Polymer compositions and their use for the vulcanisation of halogenated butylrubbers having low halogen contents | BAYER AG (DE) | 1998-04-08 | — | — | EP | disclosed |
| EP-0823454-A1 | Low halogen halobutyl rubbers | BAYER AG (DE) | 1998-02-11 | — | — | EP | disclosed |