⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14764616 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL8419012 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL272723 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL1263276 | 0.77 | — | — | |
| SCHEMBL1572578 | 0.76 | LMNA (0.47) | — | |
| SCHEMBL1344542 | 0.76 | TDP1 (0.41) | — | |
| SCHEMBL202565 | 0.76 | — | — | |
| SCHEMBL6891244 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL6890049 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL6890058 | 0.75 | TSHR (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0686171-B1 | ETHER COSOLVENTS FOR RESIN FORMULATIONS | BP CHEM INT LTD (GB) | 1999-09-22 | — | — | EP | claimed |
| CN-113777895-A | Resist stripping liquid composition | 宏伟建设工程股份有限公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-107109201-B | Polymer composition | 雪佛龙美国公司 | 2020-12-08 | — | — | CN | disclosed |
| EP-0070443-A1 | Thionophosphonic acid esters, process for preparing them and their use as pesticides | BAYER AG (DE) | 1983-01-26 | — | — | EP | disclosed |