⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1834522 | 1.00 | — | — | |
| SCHEMBL12238830 | 0.81 | — | — | |
| SCHEMBL9637730 | 0.78 | FOLH1 (0.43) | — | |
| SCHEMBL11000750 | 0.78 | — | — | |
| SCHEMBL9586717 | 0.75 | RNPEP (0.38) | — | |
| SCHEMBL9392724 | 0.75 | CHRM1 (0.41) | — | |
| SCHEMBL9638452 | 0.74 | FOLH1 (0.47) | — | |
| SCHEMBL7287344 | 0.73 | — | — | |
| SCHEMBL13225821 | 0.73 | ENPEP (0.40) | — | |
| SCHEMBL157028 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0367508-B1 | MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES | ROHM AND HAAS COMPANY (US) | 1992-07-22 | — | — | EP | claimed |
| EP-0367508-A1 | Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates | ROHM AND HAAS COMPANY (US) | 1990-05-09 | — | — | EP | claimed |
| CN-110036001-B | Benzo [ b ] thiophene compounds as STING agonists | 默沙东公司 | 2022-03-22 | — | — | CN | disclosed |
| EP-0367508-B1 | MERCAPTOALKYL ACETOACETATES, USE THEREOF AND A PROCESS FOR THE PREPARATION OF MERCAPTOALKYL ACETOACETATES | ROHM AND HAAS COMPANY (US) | 1992-07-22 | — | — | EP | disclosed |
| EP-0367508-A1 | Mercaptoalkyl acetoacetates, use thereof and a process for the preparation of mercaptoalkyl acetoacetates | ROHM AND HAAS COMPANY (US) | 1990-05-09 | — | — | EP | disclosed |
| US-4745124-A | THIO/ESTER PEPTIDES | UNIVERSITY OF MIAMI (US) | 1988-05-17 | — | — | US | disclosed |
| US-4695582-A | Inhibitors of angiotensin converting enzyme | UNIVERSITY OF MIAMI (US) | 1987-09-22 | — | — | US | disclosed |