⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487051 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL11684723 | 0.92 | SLC1A3 (0.30) | — | |
| SCHEMBL29142423 | 0.86 | CTSL (0.37) | — | |
| Hydrochloric Acid SCHEMBL28502090 | 0.83 | CTSL (0.35) | — | |
| SCHEMBL7745542 | 0.81 | SLC1A3 (0.35) | — | |
| SCHEMBL20531 | 0.81 | CTSL (0.38) | — | |
| SCHEMBL6180210 | 0.81 | — | — | |
| SCHEMBL8613374 | 0.81 | ESR1 (0.37) | — | |
| SCHEMBL9425820 | 0.81 | — | — | |
| SCHEMBL8565780 | 0.81 | SMN1; SMN2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107207444-B | Bicyclic compounds | 武田药品工业株式会社 | 2020-07-24 | — | — | CN | disclosed |