⚠ 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL14782474 | 0.87 | FDPS (0.34) | — | |
| Acetic Acid SCHEMBL14782380 | 0.87 | FFAR3 (0.33) | — | |
| SCHEMBL11147936 | 0.71 | — | — | |
| SCHEMBL554564 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL554563 | 0.71 | TDP1 (0.32) | — | |
| SCHEMBL2314790 | 0.69 | — | — | |
| SCHEMBL8185987 | 0.67 | — | — | |
| SCHEMBL8185989 | 0.67 | — | — | |
| SCHEMBL4908471 | 0.67 | — | — | |
| SCHEMBL9320147 | 0.66 | KDM4E (0.32) | — |
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-20180272314-A1 | GAS PURIFICATION WITH DIAMINE-APPENDED METAL-ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2018-09-27 | — | — | US | claimed |
| US-20180272314-A1 | GAS PURIFICATION WITH DIAMINE-APPENDED METAL-ORGANIC FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2018-09-27 | — | — | US | disclosed |
| US-20130269526-A1 | METHODS AND APPARATUS FOR CARBON DIXOIDE CAPTURE | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-10-17 | — | — | US | disclosed |
| US-20110223087-A1 | AMINO COMPOUNDS FOR CARBON DIOXIDE AND SULFUR DIOXIDE REMOVAL | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-09-15 | — | — | US | disclosed |
| WO-1995032184-A1 | SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS | ARQULE, INC. (US) | 1995-11-30 | — | — | WO | disclosed |