⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21436460 | 0.75 | MEN1 (0.35) | — | |
| SCHEMBL6533483 | 0.73 | — | — | |
| SCHEMBL6345473 | 0.67 | ALOX5AP (0.30) | — | |
| SCHEMBL3390481 | 0.61 | — | — | |
| SCHEMBL1116036 | 0.60 | MEN1 (0.30) | — | |
| SCHEMBL11497508 | 0.59 | — | — | |
| SCHEMBL3756087 | 0.58 | — | — | |
| SCHEMBL719792 | 0.58 | ALDH1A1 (0.39) | — | |
| SCHEMBL821936 | 0.58 | GRIN2D (0.46) | — | |
| SCHEMBL15809923 | 0.58 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1099718-B1 | Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam | AIR PROD & CHEM (US) | 2005-03-30 | — | — | EP | claimed |
| US-6248801-B1 | CELL OPENING ADJUVANTS | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-19 | — | — | US | claimed |
| EP-1099718-A2 | Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-05-16 | — | — | EP | claimed |
| EP-1099718-B1 | Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam | AIR PROD & CHEM (US) | 2005-03-30 | — | — | EP | disclosed |
| US-6248801-B1 | CELL OPENING ADJUVANTS | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-19 | — | — | US | disclosed |
| EP-1099718-A2 | Tertiary amine-containing active methylene compounds for improving the dimensional stability of polyurethane foam | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-05-16 | — | — | EP | disclosed |