⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27648072 | 0.72 | — | — | |
| SCHEMBL1402358 | 0.67 | — | — | |
| SCHEMBL10638127 | 0.67 | — | — | |
| SCHEMBL1674817 | 0.67 | — | — | |
| SCHEMBL5393461 | 0.65 | — | — | |
| SCHEMBL3821193 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL4654359 | 0.62 | — | — | |
| SCHEMBL5372259 | 0.60 | — | — | |
| SCHEMBL8707980 | 0.60 | — | — | |
| SCHEMBL25341765 | 0.58 | TSHR (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2450361-B1 | ORGANOMETALLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF | MITSUI CHEMICALS INC (JP) | 2017-10-25 | — | — | EP | disclosed |
| US-8791284-B2 | Organometallic compound and production method thereof | MITSUI CHEMICALS, INC. (JP) | 2014-07-29 | — | — | US | disclosed |
| EP-2450361-A1 | ORGANOMETALLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF | Mitsui Chemicals, Inc. (JP) | 2012-05-09 | — | — | EP | disclosed |
| US-20120101289-A1 | ORGANOMETALLIC COMPOUND AND PRODUCTION METHOD THEREOF | MITSUI CHEMICALS, INC. | 2012-04-26 | — | — | US | disclosed |