⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5402000 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5389964 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5393737 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5389662 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5393504 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5385520 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5404477 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5384905 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL5392562 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL2059633 | 0.89 | ALDH1A1 (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112745210-B | Method for preparing alpha, beta-unsaturated carboxylic acid compound | 中国科学院大连化学物理研究所 | 2022-02-15 | — | — | CN | claimed |
| CN-112745210-A | Method for preparing alpha, beta-unsaturated carboxylic acid compound | 中国科学院大连化学物理研究所 | 2021-05-04 | — | — | CN | claimed |
| CN-110724047-B | Method for preparing aromatic carboxylic acid compound | 中国科学院大连化学物理研究所 | 2020-10-30 | — | — | CN | claimed |
| CN-110724047-A | Method for preparing aromatic carboxylic acid compound | 中国科学院大连化学物理研究所 | 2020-01-24 | — | — | CN | claimed |
| CN-112745210-B | Method for preparing alpha, beta-unsaturated carboxylic acid compound | 中国科学院大连化学物理研究所 | 2022-02-15 | — | — | CN | disclosed |
| CN-112745210-A | Method for preparing alpha, beta-unsaturated carboxylic acid compound | 中国科学院大连化学物理研究所 | 2021-05-04 | — | — | CN | disclosed |
| CN-110724047-B | Method for preparing aromatic carboxylic acid compound | 中国科学院大连化学物理研究所 | 2020-10-30 | — | — | CN | disclosed |
| CN-110724047-A | Method for preparing aromatic carboxylic acid compound | 中国科学院大连化学物理研究所 | 2020-01-24 | — | — | CN | disclosed |
| CN-110214135-A | Indanyl Aminopyrazine basic ring propanecarboxylic acid, medical composition and its use | 勃林格殷格翰国际有限公司 | 2019-09-06 | — | — | CN | disclosed |
| US-5221774-A | Catalyst system containing nickel chloride, phosphine compound zinc and fluorinated organoacid | PHILLIPS PETROLEUM COMPANY (US) | 1993-06-22 | — | — | US | disclosed |