⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3109035 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL3091439 | 0.81 | — | — | |
| SCHEMBL3091444 | 0.81 | — | — | |
| SCHEMBL2976842 | 0.79 | — | — | |
| SCHEMBL3100697 | 0.65 | — | — | |
| SCHEMBL3103587 | 0.64 | TSHR (0.34) | — | |
| SCHEMBL21403573 | 0.63 | ALDH1A1 (0.43) | — | |
| SCHEMBL8769242 | 0.62 | ALDH1A1 (0.41) | — | |
| SCHEMBL27576759 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL3080969 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7776844-B2 | N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use | YU RUEY J | 2010-08-17 | — | — | US | claimed |
| US-20090208499-A1 | N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use | YU RUEY J | 2009-08-20 | — | — | US | claimed |
| US-7776844-B2 | N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use | YU RUEY J | 2010-08-17 | — | — | US | disclosed |
| US-20090208499-A1 | N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use | YU RUEY J | 2009-08-20 | — | — | US | disclosed |