⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL83553 | 0.97 | L3MBTL1 (0.44) | — | |
| SCHEMBL555977 | 0.83 | — | — | |
| SCHEMBL10231631 | 0.83 | — | — | |
| SCHEMBL92622 | 0.83 | — | — | |
| SCHEMBL23642191 | 0.81 | — | — | |
| SCHEMBL11182476 | 0.81 | — | — | |
| SCHEMBL24367 | 0.81 | — | — | |
| SCHEMBL17655498 | 0.81 | — | — | |
| SCHEMBL19886824 | 0.81 | — | — | |
| SCHEMBL11182468 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160229837-A1 | SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-08-11 | — | — | US | disclosed |
| US-3998808-A | INSECTICIDES, FUNGICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1976-12-21 | — | — | US | disclosed |