⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18666583 | 1.00 | — | — | |
| SCHEMBL18664568 | 1.00 | — | — | |
| SCHEMBL6243959 | 1.00 | — | — | |
| SCHEMBL4949315 | 1.00 | — | — | |
| SCHEMBL12802725 | 1.00 | — | — | |
| Cyclohexane SCHEMBL4788205 | 1.00 | — | — | |
| Cyclopentane SCHEMBL9453154 | 1.00 | — | — | |
| SCHEMBL936708 | 1.00 | — | — | |
| SCHEMBL11372758 | 1.00 | — | — | |
| SCHEMBL2143775 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017049177-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | METACRINE, INC. (US) | 2017-03-23 | — | — | WO | disclosed |
| EP-1102736-A2 | PREPARATION OF MACROCYCLIC KETONES UTILISING ADDITION OF KETONES TO ALKENES | QUEST INTERNATIONAL B.V. (NL) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000001648-A2 | PREPARATION OF MACROCYCLIC KETONES UTILISING ADDITION OF KETONES TO ALKENES | QUEST INTERNATIONAL B.V. (NL) | 2000-01-13 | — | — | WO | disclosed |