⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28286327 | 0.84 | — | — | |
| SCHEMBL5476461 | 0.78 | — | — | |
| SCHEMBL28043867 | 0.74 | — | — | |
| SCHEMBL473531 | 0.72 | — | — | |
| SCHEMBL28294709 | 0.72 | — | — | |
| SCHEMBL6954520 | 0.72 | — | — | |
| SCHEMBL28238566 | 0.72 | — | — | |
| SCHEMBL4456910 | 0.71 | EPHX2 (0.33) | — | |
| SCHEMBL9393516 | 0.71 | EPHX2 (0.33) | — | |
| SCHEMBL29700 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109641906-A | HETEROARYL SUBSTITUTED AMINOPYRIDINE COMPOUNDS | 百时美施贵宝公司 | 2019-04-16 | — | — | CN | disclosed |
| CN-108484489-A | A kind of pyridine compounds and their of the substituent group containing adamantane and its purposes in the preparation of antitumor drugs | 陈海鹏 | 2018-09-04 | — | — | CN | disclosed |
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |