⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31691655 | 0.81 | — | — | |
| Methylamine SCHEMBL4457035 | 0.75 | — | — | |
| SCHEMBL9521856 | 0.75 | — | — | |
| SCHEMBL3343 | 0.75 | — | — | |
| SCHEMBL600739 | 0.75 | — | — | |
| Methanesulfonamide SCHEMBL4700589 | 0.72 | — | — | |
| Methanesulfonamide SCHEMBL10465450 | 0.72 | — | — | |
| SCHEMBL11304001 | 0.71 | — | — | |
| Water SCHEMBL9129608 | 0.71 | — | — | |
| Ethyne SCHEMBL7608975 | 0.71 | — | — |
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-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |