⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7330065 | 0.80 | MAPT (0.32) | — | |
| SCHEMBL8629337 | 0.69 | — | — | |
| SCHEMBL1058413 | 0.67 | SLC6A2 (0.31) | — | |
| SCHEMBL3059897 | 0.63 | — | — | |
| SCHEMBL687403 | 0.62 | — | — | |
| SCHEMBL911582 | 0.62 | SLC6A3 (0.33) | — | |
| SCHEMBL10700986 | 0.60 | TRPA1 (0.31) | — | |
| SCHEMBL1421632 | 0.60 | — | — | |
| SCHEMBL9152767 | 0.60 | SLC6A3 (0.38) | — | |
| SCHEMBL16933846 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | claimed |
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | disclosed |
| US-9150751-B2 | One pot biocatalytic peroxide mediated cure | ROHM AND HAAS COMPANY (US) | 2015-10-06 | — | — | US | disclosed |
| EP-2835398-A1 | One pot biocatalytic peroxide mediated cure | Rohm and Haas Company (US) | 2015-02-11 | — | — | EP | disclosed |
| CN-104341983-A | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS | 2015-02-11 | — | — | CN | disclosed |
| US-20150038639-A1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM AND HAAS COMPANY | 2015-02-05 | — | — | US | disclosed |
| US-5154912-A | Nonradioactive labeled compounds for use in the medicine and biological fields | ATOCHEM (FR) | 1992-10-13 | — | — | US | disclosed |
| US-4623747-A | Terpene diesters and process for preparing the same | UNION CAMP CORPORATION (US) | 1986-11-18 | — | — | US | disclosed |
| US-3931249-A | Epoxidation using phthalocyanine catalysts | CELANESE CORPORATION (US) | 1976-01-06 | — | — | US | disclosed |