⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18624719 | 0.98 | — | — | |
| SCHEMBL23083345 | 0.89 | — | — | |
| SCHEMBL18642977 | 0.82 | — | — | |
| SCHEMBL18642975 | 0.79 | SOS1 (0.31) | — | |
| SCHEMBL27114615 | 0.77 | GRIN2D (0.33) | — | |
| SCHEMBL18642962 | 0.71 | — | — | |
| SCHEMBL15447902 | 0.70 | — | — | |
| SCHEMBL12021382 | 0.69 | — | — | |
| SCHEMBL18644655 | 0.67 | — | — | |
| SCHEMBL8751713 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10266521-B2 | Substituted heteroaryl compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2019-04-23 | — | — | US | disclosed |
| US-20180162841-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2018-06-14 | — | — | US | disclosed |
| US-9938257-B2 | Substituted heteroaryl compounds and methods of use | CALITOR SCIENCES, LLC (US) | 2018-04-10 | — | — | US | disclosed |
| US-20170073334-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2017-03-16 | — | — | US | disclosed |