Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Acetone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL6450237 | 0.94 | — | — | |
| Acetone SCHEMBL9772143 | 0.88 | — | — | |
| Acetone SCHEMBL1907026 | 0.88 | — | — | |
| Acetone SCHEMBL28917569 | 0.88 | — | — | |
| Acetone SCHEMBL3134673 | 0.88 | — | — | |
| Acetone SCHEMBL4400460 | 0.88 | — | — | |
| Acetone SCHEMBL6009832 | 0.88 | — | — | |
| Acetone SCHEMBL8977992 | 0.88 | — | — | |
| Acetone SCHEMBL7644305 | 0.88 | — | — | |
| Acetone SCHEMBL28846007 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106749098-B | A kind of preparation method preparing dioxopromethazine hydrochloride using oxygen as oxidant | 大连万福制药有限公司 | 2018-10-26 | — | — | CN | claimed |
| CN-106749098-A | A kind of friendly process for preparing dioxopromethazine hydrochloride as oxidant with oxygen | 大连万福制药有限公司 | 2017-05-31 | — | — | CN | claimed |
| CN-114874217-A | Salts, solvates, polymorphs, processes for the preparation and uses of benzazepine derivatives | 上海迪诺医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-106749098-B | A kind of preparation method preparing dioxopromethazine hydrochloride using oxygen as oxidant | 大连万福制药有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-106749098-A | A kind of friendly process for preparing dioxopromethazine hydrochloride as oxidant with oxygen | 大连万福制药有限公司 | 2017-05-31 | — | — | CN | disclosed |
| US-4439623-A | Process for the preparation of monochloroacetone | MERCK & CO., INC. (US) | 1984-03-27 | — | — | US | disclosed |
| US-4366160-A | ANALGESICS | HOFFMANN-LA ROCHE INC. (US) | 1982-12-28 | — | — | US | disclosed |