⚠ 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL29091377 | 0.96 | — | — | |
| Toluene SCHEMBL25279043 | 0.96 | — | — | |
| Toluene SCHEMBL14954017 | 0.92 | — | — | |
| Toluene SCHEMBL9806869 | 0.92 | — | — | |
| Toluene SCHEMBL11672967 | 0.92 | ACHE (0.85) | — | |
| Toluene SCHEMBL3410328 | 0.92 | ACHE (0.85) | — | |
| Toluene SCHEMBL8546810 | 0.92 | — | — | |
| Toluene SCHEMBL14954361 | 0.92 | — | — | |
| Toluene SCHEMBL4429042 | 0.92 | ACHE (1.00) | — | |
| SCHEMBL12344943 | 0.92 | ACHE (1.00) | — |
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-108794519-B | A kind of oxygen bridge containing boric acid deriveding group is bicyclic-[2.2.1]-heptan vinyl compound, its synthetic method and application | 武汉大学 | 2019-11-08 | — | — | CN | disclosed |
| CN-108794519-A | A kind of oxygen bridge containing boric acid deriveding group is bicyclic-[2.2.1]-heptan vinyl compound, its synthetic method and application | 武汉大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-104981460-B | Synthesis of N-heterocyclic carbenes and intermediates thereof | 圣安德鲁斯大学董事会 | 2018-01-23 | — | — | CN | disclosed |
| CN-107253903-A | Prepare a kind of method that can combine S1P acceptor compounds and its intermediate | 北京海步医药科技股份有限公司 | 2017-10-17 | — | — | CN | disclosed |
| CN-107001346-A | The base of 1 oxo, 1,2 dihydro-isoquinoline 7 bases of thiophene 2 of substitution (5) sulfonamide compounds, the preparation for containing those compounds and their purposes as AICARFT inhibitor in treating cancer | 伊莱利利公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-106458887-A | novel pyrrolidine compounds and their use as melanocortin receptor agonists | 田边三菱制药株式会社 | 2017-02-22 | — | — | CN | disclosed |
| US-5001255-A | Idene analogs of mevalonolactone and derivatives thereof | SANDOZ PHARM. CORP. (US) | 1991-03-19 | — | — | US | disclosed |