⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17021554 | 0.89 | — | — | |
| SCHEMBL17021562 | 0.85 | — | — | |
| SCHEMBL17021569 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL18315322 | 0.84 | — | — | |
| SCHEMBL17021555 | 0.82 | — | — | |
| SCHEMBL18540508 | 0.82 | NEU1 (0.40) | — | |
| SCHEMBL18315317 | 0.81 | — | — | |
| SCHEMBL18538014 | 0.81 | — | — | |
| SCHEMBL17021512 | 0.77 | — | — | |
| SCHEMBL17021575 | 0.76 | CYP1A2 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9950989-B2 | Cyclic hydrocarbon compound | TOA EIYO LTD. (JP) | 2018-04-24 | — | — | US | claimed |
| US-20170050919-A1 | CYCLIC HYDROCARBON COMPOUND | TOA EIYO LTD. (JP) | 2017-02-23 | — | — | US | claimed |
| EP-3351528-A1 | CYCLIC HYDROCARBON COMPOUND | TOA Eiyo Ltd. (JP) | 2018-07-25 | — | — | EP | disclosed |
| US-9950989-B2 | Cyclic hydrocarbon compound | TOA EIYO LTD. (JP) | 2018-04-24 | — | — | US | disclosed |
| US-20170050919-A1 | CYCLIC HYDROCARBON COMPOUND | TOA EIYO LTD. (JP) | 2017-02-23 | — | — | US | disclosed |
| EP-3106455-A1 | CYCLIC HYDROCARBON COMPOUND | TOA Eiyo Ltd. (JP) | 2016-12-21 | — | — | EP | disclosed |