⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11201367 | 0.70 | — | — | |
| SCHEMBL21721550 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL6349799 | 0.65 | — | — | |
| SCHEMBL2721349 | 0.61 | ALDH1A1 (0.73) | — | |
| SCHEMBL20158316 | 0.59 | ALDH1A1 (0.34) | — | |
| SCHEMBL9243651 | 0.57 | — | — | |
| SCHEMBL11610707 | 0.55 | ALDH1A1 (0.50) | — | |
| SCHEMBL21721629 | 0.52 | — | — | |
| SCHEMBL22221955 | 0.50 | — | — | |
| SCHEMBL8213378 | 0.40 | ALDH1A1 (0.44) | — |
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-5480873-A | ARTHRITIS | LILLY INDUSTRIES LIMITED (GB) | 1996-01-02 | — | — | US | disclosed |
| EP-0570091-A1 | Anthraquinone derivatives, process for their preparation and their use as medicaments | LILLY INDUSTRIES LIMITED (GB) | 1993-11-18 | — | — | EP | disclosed |
| EP-0230783-B1 | DIESEL FUEL CONTAINING A TETRAZOLE OR TRIAZOLE CETANE IMPROVER | EXXON CHEMICAL PATENTS INC. (US) | 1990-01-03 | — | — | EP | disclosed |
| US-4632674-A | Diesel fuel containing a tetrazole or triazole cetane improver | EXXON CHEMICAL PATENTS INC. (US) | 1986-12-30 | — | — | US | disclosed |