⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21828501 | 0.77 | FFAR3 (0.32) | — | |
| SCHEMBL5487990 | 0.77 | FFAR3 (0.32) | — | |
| SCHEMBL1643952 | 0.77 | FFAR3 (0.32) | — | |
| SCHEMBL23858920 | 0.75 | — | — | |
| SCHEMBL16224365 | 0.74 | USP2 (0.38) | — | |
| SCHEMBL3275448 | 0.73 | — | — | |
| SCHEMBL17495259 | 0.72 | — | — | |
| SCHEMBL3275477 | 0.71 | — | — | |
| SCHEMBL17495254 | 0.71 | — | — | |
| SCHEMBL3281473 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11129832-B2 | Biheteroaryl compounds and uses thereof | GENENTECH, INC. (US) | 2021-09-28 | — | — | US | disclosed |
| US-20200188397-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2020-06-18 | — | — | US | disclosed |
| CN-105431420-B | Diheteroaryl compounds and uses thereof | 豪夫迈·罗氏有限公司 | 2019-08-13 | — | — | CN | disclosed |
| CN-110003178-A | Two heteroaryl compounds and application thereof | 豪夫迈·罗氏有限公司 | 2019-07-12 | — | — | CN | disclosed |
| US-10010549-B2 | Biheteroaryl compounds and uses thereof | GENENTECH, INC. (US) | 2018-07-03 | — | — | US | disclosed |
| US-20180133219-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2018-05-17 | — | — | US | disclosed |
| CN-105431420-A | Diheteroaryl compounds and uses thereof | HOFFMANN LA ROCHE | 2016-03-23 | — | — | CN | disclosed |
| EP-2991978-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | F. Hoffmann-La Roche SA (CH) | 2016-03-09 | — | — | EP | disclosed |
| US-20160052940-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2016-02-25 | — | — | US | disclosed |
| WO-2014177060-A1 | BIHETEROARYL COMPOUNDS AND USES THEREOF | F.HOFFMANN-LA ROCHE AG (CH) | 2014-11-06 | — | — | WO | disclosed |