⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8229200 | 0.77 | — | — | |
| SCHEMBL20068615 | 0.75 | CCR1 (0.46) | — | |
| SCHEMBL5955176 | 0.71 | — | — | |
| SCHEMBL8272469 | 0.71 | — | — | |
| SCHEMBL20430469 | 0.71 | — | — | |
| SCHEMBL7898904 | 0.71 | — | — | |
| SCHEMBL23018675 | 0.69 | NPC1 (0.38) | — | |
| SCHEMBL9020435 | 0.68 | — | — | |
| SCHEMBL22990168 | 0.67 | — | — | |
| SCHEMBL22990154 | 0.67 | CA12 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2719697-B1 | PYRIDONAPHTHYRIDINE PI3K/MTOR DUAL INHIBITORS AND PREPARATION AND USE THEREOF | XUANZHU PHARMA CO LTD (CN) | 2018-08-01 | — | — | EP | disclosed |
| WO-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |
| US-20090209577-A1 | Novel Triazolopyridine Compounds | PFIZER INC. (US) | 2009-08-20 | — | — | US | disclosed |
| WO-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |