⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1900699 | 0.67 | — | — | |
| SCHEMBL14601152 | 0.59 | — | — | |
| SCHEMBL4199270 | 0.59 | — | — | |
| SCHEMBL16144793 | 0.59 | — | — | |
| SCHEMBL3996905 | 0.59 | — | — | |
| SCHEMBL24097613 | 0.56 | — | — | |
| SCHEMBL1451807 | 0.56 | — | — | |
| SCHEMBL1451810 | 0.56 | — | — | |
| SCHEMBL562303 | 0.56 | — | — | |
| SCHEMBL2701798 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008043853-A2 | PHOTOCHROMIC FILM | OPCO GMBH (DE) | 2008-04-17 | — | — | WO | claimed |
| CN-101203488-B | Method for producing isocyanate, isocyanate obtained by the method, and use thereof | MITSUI CHEMICALS, INC. (JP) | 2011-12-14 | — | — | CN | disclosed |
| US-20080280937-A1 | Ligand Conjugates of Vinca Alkaloids, Analogs, and Derivatives | ENDOCYTE, INC. | 2008-11-13 | — | — | US | disclosed |
| CN-101203488-A | Method for producing isocyanate, isocyanate obtained by the method, and use thereof | MITSUI CHEMICALS INC (JP) | 2008-06-18 | — | — | CN | disclosed |