⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7107814 | 0.87 | IGF1R (0.31) | — | |
| SCHEMBL14708745 | 0.84 | CA12 (0.32) | — | |
| SCHEMBL21166950 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL1584401 | 0.78 | — | — | |
| SCHEMBL457595 | 0.77 | IGF1R (0.35) | — | |
| SCHEMBL14299921 | 0.77 | GCGR (0.30) | — | |
| SCHEMBL1900289 | 0.75 | IGF1R (0.31) | — | |
| SCHEMBL117187 | 0.75 | — | — | |
| SCHEMBL1007427 | 0.75 | CA2 (0.34) | — | |
| SCHEMBL359266 | 0.75 | GCGR (0.39) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339138-B | Ester compound and use thereof | 住友化学株式会社 | 2025-02-11 | — | — | CN | disclosed |
| CN-118339139-B | Ester compound and use thereof | 住友化学株式会社 | 2025-02-07 | — | — | CN | disclosed |
| CN-118339135-B | Ester compound and use thereof | 住友化学株式会社 | 2025-01-07 | — | — | CN | disclosed |
| CN-118339134-B | Ester compound and use thereof | 住友化学株式会社 | 2024-10-01 | — | — | CN | disclosed |
| CN-118339135-A | Ester compound and use thereof | 住友化学株式会社 | 2024-07-12 | — | — | CN | disclosed |
| CN-118339139-A | Ester compound and use thereof | 住友化学株式会社 | 2024-07-12 | — | — | CN | disclosed |
| CN-118339138-A | Ester compound and use thereof | 住友化学株式会社 | 2024-07-12 | — | — | CN | disclosed |
| CN-118339134-A | Ester compound and use thereof | 住友化学株式会社 | 2024-07-12 | — | — | CN | disclosed |
| WO-2024071447-A2 | ESTER COMPOUND AND USE THEREOF | 住友化学株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2024071446-A2 | ESTER COMPOUND AND USE THEREOF | 住友化学株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2024071442-A2 | ESTER COMPOUND AND USE THEREOF | 住友化学株式会社 | 2024-04-04 | — | — | WO | disclosed |
| WO-2024071448-A2 | ESTER COMPOUND AND USE THEREOF | 住友化学株式会社 | 2024-04-04 | — | — | WO | disclosed |
| CN-114380761-A | Novel isoxazole derivative and application thereof in agriculture | 宁夏苏融达化工有限公司 | 2022-04-22 | — | — | CN | disclosed |
| US-20120130118-A1 | METHODS FOR PRODUCING AND USING A TETRAFLUOROTOLUENE COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-05-24 | — | — | US | disclosed |
| US-20110124923-A1 | TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-26 | — | — | US | disclosed |
| EP-1975147-A1 | TETRAFLUOROTOLUENE COMPOUND, METHOD FOR PRODUCING SAME AND USE THEREOF | Sumitomo Chemical Company, Limited (JP) | 2008-10-01 | — | — | EP | disclosed |
| EP-0181284-A1 | Amino acid esters | SANDOZ AG (CH) | 1986-05-14 | — | — | EP | disclosed |