⚠ 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 | |
|---|---|---|---|---|
| Butanedione SCHEMBL1867426 | 0.80 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.80 | — | — | |
| Acetamide SCHEMBL10980990 | 0.78 | — | — | |
| Acetic Acid SCHEMBL10883462 | 0.78 | — | — | |
| Butanedione SCHEMBL1673412 | 0.75 | — | — | |
| Butanedione SCHEMBL3831305 | 0.75 | — | — | |
| Butanedione SCHEMBL6135875 | 0.75 | — | — | |
| Butanedione SCHEMBL15352914 | 0.75 | — | — | |
| Butanedione SCHEMBL3741209 | 0.75 | — | — | |
| Butanedione SCHEMBL3398297 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5034413-A | Glaucoma treatment | ALLERGAN, INC. (US) | 1991-07-23 | — | — | US | disclosed |
| EP-0410787-A2 | Intraocular pressure reducing 9,11-diacyl prostaglandins | ALLERGAN, INC. (US) | 1991-01-30 | — | — | EP | disclosed |