⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29077124 | 0.84 | — | — | |
| SCHEMBL2901854 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL15466875 | 0.77 | — | — | |
| SCHEMBL14340657 | 0.72 | QDPR (0.39) | — | |
| SCHEMBL2237455 | 0.70 | — | — | |
| SCHEMBL22057850 | 0.69 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL10943194 | 0.69 | CA2 (0.33) | — | |
| SCHEMBL22057222 | 0.68 | KDM4E (0.34) | — | |
| SCHEMBL5181522 | 0.67 | MGAM (0.43) | — | |
| SCHEMBL1259103 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0796243-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-09-24 | — | — | EP | disclosed |
| WO-1996015103-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-23 | — | — | WO | disclosed |