⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL515462 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL3667108 | 0.80 | — | — | |
| Formic Acid SCHEMBL7604832 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL9766471 | 0.68 | KDM4E (0.39) | — | |
| SCHEMBL20656 | 0.66 | TSHR (0.43) | — | |
| SCHEMBL7549527 | 0.66 | TSHR (0.43) | — | |
| Pyrophosphoric Acid SCHEMBL7064693 | 0.66 | TDP1 (0.48) | — | |
| Bicarbonate SCHEMBL1081463 | 0.65 | LMNA (0.44) | — | |
| SCHEMBL9249204 | 0.65 | ALDH1A1 (0.33) | — | |
| Lactic Acid SCHEMBL5529387 | 0.64 | TP53 (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5844012-A | Process and composition for improving the cure of water-blown molded polyurethane foam | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1998-12-01 | — | — | US | disclosed |