⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6847193 | 0.79 | ALDH1A1 (0.54) | — | |
| SCHEMBL5032930 | 0.76 | MCL1 (0.37) | — | |
| SCHEMBL533954 | 0.73 | CYP1A2 (0.46) | — | |
| SCHEMBL5030641 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL600496 | 0.70 | — | — | |
| SCHEMBL5034793 | 0.70 | CYP1A2 (0.38) | — | |
| SCHEMBL18936093 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL1941944 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL29212688 | 0.67 | CHEK1 (0.36) | — | |
| SCHEMBL16334259 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011084764-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | claimed |
| WO-2011084771-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | claimed |
| WO-2012088182-A2 | 2,4,5-TRIAMINOTHIOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-06-28 | — | — | WO | disclosed |
| WO-2011087809-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-21 | — | — | WO | disclosed |
| WO-2011087806-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-21 | — | — | WO | disclosed |
| WO-2011084810-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011084762-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011084764-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |
| WO-2011084771-A2 | 2,4,5-TRIAMINOPHENOLS AND RELATED COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |