⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15529135 | 0.96 | — | — | |
| SCHEMBL20530558 | 0.92 | — | — | |
| SCHEMBL1948880 | 0.92 | — | — | |
| SCHEMBL11421642 | 0.92 | ALDH1A1 (0.91) | — | |
| SCHEMBL11218771 | 0.92 | — | — | |
| SCHEMBL27624771 | 0.92 | — | — | |
| SCHEMBL11420946 | 0.92 | ALDH1A1 (0.91) | — | |
| SCHEMBL11129533 | 0.88 | — | — | |
| SCHEMBL14740684 | 0.88 | — | — | |
| SCHEMBL28866580 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003006-A | A kind of method that terephthalic acid (TPA) and M-phthalic acid are produced using C8 aronmatic as raw material | 杭州多向流化学科技有限公司 | 2018-05-08 | — | — | CN | disclosed |