⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5890911 | 0.59 | — | — | |
| SCHEMBL10452168 | 0.57 | — | — | |
| SCHEMBL2043722 | 0.56 | — | — | |
| SCHEMBL9459984 | 0.55 | — | — | |
| SCHEMBL11199995 | 0.55 | — | — | |
| SCHEMBL4356623 | 0.46 | — | — | |
| Benzoquinone SCHEMBL27706562 | 0.42 | TDP1 (0.61) | — | |
| SCHEMBL22592092 | 0.42 | — | — | |
| SCHEMBL16004444 | 0.42 | CTSL (0.30) | — | |
| SCHEMBL11437259 | 0.41 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0291853-B1 | THIENON COMPOUNDS | BASF Aktiengesellschaft (DE) | 1993-07-28 | — | — | EP | disclosed |
| US-4908437-A | Thien-2-one compounds with an alkylidene or imino group in the 5-position of the ring | BASF AKTIENGESELLSCHAFT (DE) | 1990-03-13 | — | — | US | disclosed |
| EP-0291853-A2 | Thienon compounds | BASF Aktiengesellschaft (DE) | 1988-11-23 | — | — | EP | disclosed |