⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2778057 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22091312 | 0.97 | SLC6A12 (0.56) | — | |
| Hydrochloric Acid SCHEMBL22091309 | 0.97 | SLC6A12 (0.56) | — | |
| SCHEMBL15514904 | 0.83 | SLC6A12 (0.48) | — | |
| SCHEMBL29955739 | 0.83 | SLC6A12 (0.48) | — | |
| SCHEMBL20249072 | 0.83 | SLC6A12 (0.48) | — | |
| SCHEMBL13834830 | 0.83 | SLC6A12 (0.48) | — | |
| SCHEMBL29956796 | 0.83 | SLC6A12 (0.48) | — | |
| SCHEMBL28513346 | 0.83 | SLC6A12 (0.50) | — | |
| SCHEMBL28072372 | 0.82 | SLC6A12 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11046699-B2 | Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses | RAPT THERAPEUTICS, INC. (US) | 2021-06-29 | — | — | US | disclosed |