⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27846833 | 0.80 | NOS1 (0.38) | — | |
| SCHEMBL6526606 | 0.80 | — | — | |
| SCHEMBL3144993 | 0.78 | — | — | |
| SCHEMBL7893856 | 0.77 | NOS1 (0.47) | — | |
| SCHEMBL9101772 | 0.75 | NOS1 (0.47) | — | |
| SCHEMBL427693 | 0.75 | — | — | |
| SCHEMBL1021803 | 0.74 | NOS1 (0.52) | — | |
| SCHEMBL14385408 | 0.74 | NOS1 (0.52) | — | |
| SCHEMBL24663737 | 0.74 | ELANE (0.45) | — | |
| SCHEMBL6847499 | 0.74 | NOS1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0011363-B1 | PYRAZOLE PHOSPHATES AND PHOSPHONATES, PREPARATION THEREOF AND USE THEREOF AS INSECTICIDES | STAUFFER CHEMICAL COMPANY (US) | 1982-04-07 | — | — | EP | claimed |
| CN-105541859-A | 7,8-dihydro-2H-furo-[3,2-h]chroman-6(3H)-ketone derivative and preparation method and medical application thereof | UNIV HUNAN | 2016-05-04 | — | — | CN | disclosed |
| CN-102702212-B | N-(2-subtituted acyl) pyrazol derritol and application thereof as medicament | UNIV HUNAN | 2014-02-05 | — | — | CN | disclosed |
| CN-102399229-B | N-acylpyrazole derritol, preparation method thereof, and application thereof | UNIV HUNAN | 2013-09-04 | — | — | CN | disclosed |
| CN-102702212-A | N-(2-subtituted acyl) pyrazol derritol and application thereof as medicament | UNIV HUNAN | 2012-10-03 | — | — | CN | disclosed |
| CN-102399229-A | N-acylpyrazole derritol, preparation method thereof, and application thereof | UNIV HUNAN | 2012-04-04 | — | — | CN | disclosed |
| EP-0011363-B1 | PYRAZOLE PHOSPHATES AND PHOSPHONATES, PREPARATION THEREOF AND USE THEREOF AS INSECTICIDES | STAUFFER CHEMICAL COMPANY (US) | 1982-04-07 | — | — | EP | disclosed |