⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7156973 | 1.00 | — | — | |
| SCHEMBL28135023 | 0.82 | SLC6A4 (0.32) | — | |
| SCHEMBL221041 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28561202 | 0.78 | SLC6A4 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL22553720 | 0.78 | SLC6A4 (0.32) | — | |
| SCHEMBL15575 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL265848 | 0.78 | KMT2A (0.39) | — | |
| Cyclohexane SCHEMBL9547725 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL498527 | 0.78 | KMT2A (0.39) | — | |
| SCHEMBL28843554 | 0.78 | KMT2A (0.39) | — |
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-6630517-B2 | Capable of recovering polymers such as polyurethane resins as polyol and polyamine; recycling | KABUSHIKI KAISHA KOBE SEIKO SHO (JP) | 2003-10-07 | — | — | US | disclosed |
| US-20030012710-A1 | APPARATUS AND METHOD FOR DECOMPOSING AND RECOVERING ISOCYANATE COMPOUND | MITSUI TAKEDA CHEMICALS INC. (JP) | 2003-01-16 | — | — | US | disclosed |
| EP-0976719-A1 | APPARATUS AND METHOD FOR DECOMPOSING AND RECOVERING ISOCYANATE COMPOUND | KABUSHIKI KAISHA KOBE SEIKO SHO (JP) | 2000-02-02 | — | — | EP | disclosed |