⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3140688 | 0.61 | — | — | |
| SCHEMBL6177546 | 0.56 | — | — | |
| SCHEMBL424164 | 0.55 | — | — | |
| SCHEMBL3621351 | 0.54 | — | — | |
| SCHEMBL2916620 | 0.52 | — | — | |
| SCHEMBL3144013 | 0.51 | — | — | |
| SCHEMBL11880780 | 0.50 | — | — | |
| SCHEMBL25457112 | 0.50 | — | — | |
| Glycidol SCHEMBL8375576 | 0.50 | ALDH1A1 (0.44) | — | |
| SCHEMBL20494129 | 0.50 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107935961-A | A kind of preparation method of 2 imino thiazole alkane, 4 ketone compounds | 赣南师范大学 | 2018-04-20 | — | — | CN | disclosed |
| US-7388098-B2 | Dynamic resolution of isomers and resolved isomers | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-06-17 | — | — | US | disclosed |
| CN-1185223-C | Novel compounds, their synthesis and therapeutic use | GILEAD SCIENCES INC (US) | 2005-01-19 | — | — | CN | disclosed |
| US-4195154-A | FUNGICIDES, BACTERICIDES, INSECTODIDES; ETHERIFICATION BY REACTION WITH A 2-OXAZOLINE METAL SALT AS CATALYST | THE DOW CHEMICAL COMPANY (US) | 1980-03-25 | — | — | US | disclosed |
| US-4082892-A | TEMPERATURE SENSITIVE GLASS ASSEMBLY HAVING AN AQUEOUS INTERLAYER OF AN OXAZOLINE SOLUTION | IMC CHEMICAL GROUP, INC. (US) | 1978-04-04 | — | — | US | disclosed |