⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21704601 | 1.00 | — | — | |
| SCHEMBL4426079 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL15468113 | 0.97 | — | — | |
| SCHEMBL9745347 | 0.80 | METAP1 (0.38) | — | |
| SCHEMBL12280967 | 0.80 | — | — | |
| SCHEMBL12462672 | 0.80 | — | — | |
| SCHEMBL12280642 | 0.80 | — | — | |
| SCHEMBL10031747 | 0.79 | — | — | |
| SCHEMBL10067943 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9548897 | 0.78 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0602914-B1 | Ink compositions for ink jet printing | XEROX CORP (US) | 1997-11-12 | — | — | EP | claimed |
| US-11180502-B2 | Azaspiro[4.5]decane derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2021-11-23 | — | — | US | disclosed |
| US-20210163505-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2021-06-03 | — | — | US | disclosed |
| US-20180134707-A1 | AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF | PURDUE PHARMA L.P. | 2018-05-17 | — | — | US | disclosed |
| US-9732029-B2 | Nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS, INC. (US) | 2017-08-15 | — | — | US | disclosed |
| US-20110028337-A1 | NUCLEOBASE CHARACTERISATION | NUCLEOBASE CHARACTERISATION | 2011-02-03 | — | — | US | disclosed |