⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10994482 | 1.00 | — | — | |
| SCHEMBL12014995 | 0.79 | — | — | |
| SCHEMBL13683357 | 0.79 | — | — | |
| SCHEMBL11126075 | 0.79 | — | — | |
| SCHEMBL7118591 | 0.78 | TRPA1 (0.42) | — | |
| SCHEMBL11655062 | 0.77 | — | — | |
| SCHEMBL11655065 | 0.77 | — | — | |
| SCHEMBL5909404 | 0.74 | — | — | |
| SCHEMBL28437882 | 0.74 | — | — | |
| SCHEMBL5909402 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10240011-B2 | Multifunctional curing agents and their use in improving strength of composites containing carbon fibers embedded in polymeric matrix | UT-BATTELLE, LLC (US) | 2019-03-26 | — | — | US | disclosed |
| US-20170166712-A1 | MULTIFUNCTIONAL CURING AGENTS AND THEIR USE IN IMPROVING STRENGTH OF COMPOSITES CONTAINING CARBON FIBERS EMBEDDED IN POLYMERIC MATRIX | UT-BATTELLE, LLC (US) | 2017-06-15 | — | — | US | disclosed |
| US-9617398-B2 | Multifunctional curing agents and their use in improving strength of composites containing carbon fibers embedded in a polymeric matrix | UT-BATTELLE, LLC (US) | 2017-04-11 | — | — | US | disclosed |
| US-20160102180-A1 | MULTIFUNCTIONAL CURING AGENTS AND THEIR USE IN IMPROVING STRENGTH OF COMPOSITES CONTAINING CARBON FIBERS EMBEDDED IN A POLYMERIC MATRIX | UT-BATTELLE, LLC (US) | 2016-04-14 | — | — | US | disclosed |
| US-4560769-A | CATALYTIC CYCLIZATION OF AMMONIA OR AMINE WITH BUT-2-ENE-1,4-DIOL | BASF AKTIENGESELLSCHAFT (DE) | 1985-12-24 | — | — | US | disclosed |