⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18256811 | 0.78 | — | — | |
| SCHEMBL18898790 | 0.75 | RXRA (0.32) | — | |
| SCHEMBL2937160 | 0.70 | — | — | |
| SCHEMBL23844601 | 0.70 | — | — | |
| SCHEMBL22516648 | 0.70 | KCNH2 (0.31) | — | |
| SCHEMBL13590669 | 0.70 | — | — | |
| SCHEMBL45870 | 0.67 | — | — | |
| SCHEMBL2629415 | 0.67 | — | — | |
| SCHEMBL830410 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL3055813 | 0.65 | ALDH1A1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023084449-A1 | DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER | NOVARTIS AG (CH) | 2023-05-19 | — | — | WO | disclosed |
| US-9133214-B2 | Heteroalkyl linked pyrimidine derivatives | S*BIO PTE LTD (SG) | 2015-09-15 | — | — | US | disclosed |
| US-20140163042-A1 | ENZYME INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2014-06-12 | — | — | US | disclosed |
| US-20100160280-A1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |