⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL15875621 | 0.82 | HRH4 (0.35) | — | |
| SCHEMBL15875664 | 0.80 | HCAR2 (0.32) | — | |
| SCHEMBL15875530 | 0.78 | CYP4F2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28678114 | 0.77 | CYP4F2 (0.36) | — | |
| SCHEMBL23457502 | 0.68 | TSHR (0.32) | — | |
| SCHEMBL27489715 | 0.67 | CES2 (0.36) | — | |
| SCHEMBL2006030 | 0.62 | — | — | |
| SCHEMBL20972944 | 0.62 | CYP1A2 (0.40) | — | |
| SCHEMBL21606780 | 0.62 | — | — | |
| SCHEMBL4658964 | 0.62 | CES1 (0.47) | — |
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-2943494-B1 | PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN | LILLY CO ELI (US) | 2017-02-22 | — | — | EP | disclosed |
| EP-2943494-A1 | PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN | Eli Lilly and Company (US) | 2015-11-18 | — | — | EP | disclosed |
| US-8969555-B2 | Bicyclic pyrimidine compounds | ELI LILLY AND COMPANY (US) | 2015-03-03 | — | — | US | disclosed |
| WO-2014110000-A1 | PYRIDO- OR PYRROLO-FUSED PYRIMIDINE DERIVATIVES AS AUTOTAXIN INHIBITORS FOR TREATING PAIN | ELI LILLY AND COMPANY (US) | 2014-07-17 | — | — | WO | disclosed |