⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL478012 | 0.97 | — | — | |
| Ethylene SCHEMBL3485149 | 0.94 | — | — | |
| SCHEMBL27871262 | 0.94 | — | — | |
| SCHEMBL28206045 | 0.94 | — | — | |
| SCHEMBL27580006 | 0.94 | — | — | |
| SCHEMBL28006904 | 0.94 | — | — | |
| Methyl Alcohol SCHEMBL11356938 | 0.91 | — | — | |
| Bicarbonate SCHEMBL10708950 | 0.91 | ALDH1A1 (0.40) | — | |
| Silicate SCHEMBL11666436 | 0.86 | ALDH1A1 (0.36) | — | |
| Acrylamide SCHEMBL9985823 | 0.82 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104974706-A | Polyurethane adhesive and preparation method thereof | SUZHOU POLYMER NEW MATERIALS TECHNOLOGY CO LTD | 2015-10-14 | — | — | CN | claimed |
| CN-104974706-A | Polyurethane adhesive and preparation method thereof | SUZHOU POLYMER NEW MATERIALS TECHNOLOGY CO LTD | 2015-10-14 | — | — | CN | disclosed |