⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13864359 | 1.00 | — | — | |
| SCHEMBL13185853 | 1.00 | — | — | |
| SCHEMBL9843489 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL9843490 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL9750815 | 0.76 | — | — | |
| SCHEMBL5084447 | 0.73 | — | — | |
| SCHEMBL5084442 | 0.73 | — | — | |
| SCHEMBL1937960 | 0.72 | — | — | |
| SCHEMBL12930143 | 0.71 | — | — | |
| SCHEMBL8788693 | 0.71 | — | — |
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-4356155-A | SOUR GAS STREAM IS CONTACTED WITH IRON CHELATE OF NITRILOTRIACETIC ACID AND AN ALCOHOL | SHELL OIL COMPANY (US) | 1982-10-26 | — | — | US | claimed |
| CN-119875850-A | Marine sediment source fungus and application thereof | 济南大学 | 2025-04-25 | — | — | CN | disclosed |
| US-5059733-A | From a mixture of C6 olefin isomers | CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) | 1991-10-22 | — | — | US | disclosed |