⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17826841 | 0.74 | — | — | |
| SCHEMBL4329315 | 0.72 | — | — | |
| SCHEMBL31707163 | 0.70 | — | — | |
| SCHEMBL926627 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL23754685 | 0.70 | AOC2 (0.35) | — | |
| SCHEMBL28442963 | 0.69 | LMNA (0.30) | — | |
| Hydrochloric Acid SCHEMBL31705592 | 0.68 | NOTUM (0.31) | — | |
| SCHEMBL7286911 | 0.67 | AOC2 (0.34) | — | |
| SCHEMBL2237090 | 0.67 | POLB (0.37) | — | |
| SCHEMBL18841329 | 0.67 | P2RX7 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0409617-B1 | Process for the preparation of metal complexes of thiolactams | ZENECA LTD (GB) | 1998-11-11 | — | — | EP | disclosed |
| US-5506253-A | REACTING ACETOXYPYRROLIDINONE COMPOUND WITH METAL TRIALKYLSILANOLATE | ZENECA LIMITED (GB) | 1996-04-09 | — | — | US | disclosed |
| US-5393750-A | Biocides | ZENECA, LIMITED (GB) | 1995-02-28 | — | — | US | disclosed |
| US-5120856-A | Bactericides, fungicides, algicides | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-09 | — | — | US | disclosed |
| EP-0409617-A2 | Thiolactams, process for their preparation and use as biocides | ZENECA LIMITED (GB) | 1991-01-23 | — | — | EP | disclosed |