⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL299996 | 0.63 | — | — | |
| SCHEMBL214664 | 0.61 | SLC6A2 (0.33) | — | |
| SCHEMBL7545482 | 0.61 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27437167 | 0.61 | — | — | |
| SCHEMBL7776544 | 0.59 | — | — | |
| SCHEMBL11503852 | 0.58 | SLC6A2 (0.32) | — | |
| SCHEMBL902355 | 0.58 | — | — | |
| SCHEMBL27497001 | 0.58 | ARG1 (0.30) | — | |
| SCHEMBL11086680 | 0.58 | — | — | |
| SCHEMBL7277964 | 0.58 | ARG1 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010006954-A1 | NOVEL N-SUBSTITUTED BETA-AMINO ACID ESTERS | DSM IP ASSETS B.V. (NL) | 2010-01-21 | — | — | WO | disclosed |