⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21304682 | 1.00 | — | — | |
| SCHEMBL2629625 | 0.82 | DPP4 (0.33) | — | |
| SCHEMBL22314158 | 0.78 | PKM (0.38) | — | |
| SCHEMBL5808021 | 0.78 | PKM (0.38) | — | |
| SCHEMBL4114072 | 0.77 | — | — | |
| SCHEMBL4114076 | 0.77 | — | — | |
| SCHEMBL22545670 | 0.75 | — | — | |
| SCHEMBL5811481 | 0.75 | KMT2A (0.33) | — | |
| SCHEMBL7588588 | 0.75 | DPP4 (0.31) | — | |
| SCHEMBL5811485 | 0.74 | DPP4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10913745-B2 | Octahydro-pyrrolo[3,4-c]-pyrrole derivatives and analogs thereof as autotaxin inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2021-02-09 | — | — | US | disclosed |
| US-10669268-B2 | Bicyclic derivatives | HOFFMANN-LA ROCHE INC. (US) | 2020-06-02 | — | — | US | disclosed |
| US-20180118741-A1 | NEW BICYCLIC DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-05-03 | — | — | US | disclosed |