⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4025283 | 0.81 | — | — | |
| SCHEMBL4025291 | 0.79 | — | — | |
| SCHEMBL4021404 | 0.78 | — | — | |
| SCHEMBL4024401 | 0.75 | — | — | |
| SCHEMBL2163809 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL4017133 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL1050293 | 0.63 | PTPN1 (0.39) | — | |
| SCHEMBL4024419 | 0.63 | — | — | |
| SCHEMBL7906771 | 0.63 | — | — | |
| SCHEMBL9577261 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090203917-A1 | ORGANOMETALLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND METHODS OF USE THEREOF | PRAXAIR TECHNOLOGY, INC. | 2009-08-13 | — | — | US | claimed |
| US-20090202740-A1 | ORGANOMETALLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND METHODS OF USE THEREOF | PRAXAIR TECHNOLOGY, INC. | 2009-08-13 | — | — | US | claimed |
| US-20090200524-A1 | ORGANOMETALLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND METHODS OF USE THEREOF | PRAXAIR TECHNOLOGY, INC. | 2009-08-13 | — | — | US | claimed |
| WO-2009094259-A1 | ORGANOMETALLIC COMPOUNDS PROCESSES AND METHODS OF USE | PRAXAIR TECHNOLOGY, INC. (US) | 2009-07-30 | — | — | WO | claimed |
| US-20090203917-A1 | ORGANOMETALLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND METHODS OF USE THEREOF | PRAXAIR TECHNOLOGY, INC. | 2009-08-13 | — | — | US | disclosed |
| US-20090200524-A1 | ORGANOMETALLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND METHODS OF USE THEREOF | PRAXAIR TECHNOLOGY, INC. | 2009-08-13 | — | — | US | disclosed |
| US-20090202740-A1 | ORGANOMETALLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND METHODS OF USE THEREOF | PRAXAIR TECHNOLOGY, INC. | 2009-08-13 | — | — | US | disclosed |
| WO-2009094259-A1 | ORGANOMETALLIC COMPOUNDS PROCESSES AND METHODS OF USE | PRAXAIR TECHNOLOGY, INC. (US) | 2009-07-30 | — | — | WO | disclosed |