⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18976753 | 0.78 | — | — | |
| SCHEMBL1074041 | 0.73 | — | — | |
| SCHEMBL9801597 | 0.73 | HTR1A (0.36) | — | |
| SCHEMBL11528471 | 0.73 | — | — | |
| SCHEMBL11052483 | 0.71 | CHRM1 (0.30) | — | |
| SCHEMBL11101601 | 0.71 | — | — | |
| SCHEMBL9286272 | 0.69 | PARP1 (0.33) | — | |
| SCHEMBL19624783 | 0.69 | — | — | |
| SCHEMBL25696832 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL28025301 | 0.68 | PARP1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105330774-B | A kind of preparation method of wide steric regularity distribution polypropylene and obtained polypropylene | 中国石油化工股份有限公司 | 2017-10-03 | — | — | CN | disclosed |
| US-4173580-A | Production of β-haloalkylaminosulfonyl halides | BASF AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | disclosed |
| US-4014931-A | FROM AZIRIDINE AND SULFURYL HALIDE | BASF AKTIENGESELLSCHAFT (DT) | 1977-03-29 | — | — | US | disclosed |