⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10631585 | 0.87 | MCL1 (0.46) | — | |
| SCHEMBL10628189 | 0.83 | FAAH (0.46) | — | |
| SCHEMBL10630200 | 0.83 | TSHR (0.43) | — | |
| SCHEMBL1880781 | 0.83 | FAAH (0.64) | — | |
| SCHEMBL10634427 | 0.81 | FAAH (0.50) | — | |
| SCHEMBL19176854 | 0.80 | MCL1 (0.53) | — | |
| SCHEMBL5418544 | 0.80 | — | — | |
| SCHEMBL6866925 | 0.79 | PHF8 (0.46) | — | |
| SCHEMBL7748215 | 0.78 | — | — | |
| SCHEMBL20263736 | 0.77 | MCL1 (0.41) | — |
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-11072635-B2 | Macrocyclic broad spectrum antibiotics | RQX PHARMACEUTICALS, INC. (US) | 2021-07-27 | — | — | US | disclosed |
| US-20200239519-A1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS, INC. | 2020-07-30 | — | — | US | disclosed |
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| WO-2016008582-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| US-8648081-B2 | Parasiticidal dihydroisoxazole compounds | ELI LILLY AND COMPANY (US) | 2014-02-11 | — | — | US | disclosed |