⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17635988 | 0.90 | — | — | |
| SCHEMBL12967665 | 0.76 | — | — | |
| SCHEMBL3349284 | 0.71 | — | — | |
| SCHEMBL12812875 | 0.71 | — | — | |
| SCHEMBL12967670 | 0.69 | — | — | |
| SCHEMBL14407322 | 0.69 | GPR84 (0.52) | — | |
| SCHEMBL17178110 | 0.69 | GPR84 (0.52) | — | |
| SCHEMBL18334279 | 0.69 | — | — | |
| SCHEMBL2352156 | 0.69 | — | — | |
| SCHEMBL17178107 | 0.69 | GPR84 (0.52) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230135188-A1 | FE/CU-MEDIATED KETONE SYNTHESIS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-05-04 | — | — | US | disclosed |
| US-11498892-B2 | Fe/Cu-mediated ketone synthesis | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2022-11-15 | — | — | US | disclosed |
| US-20210179522-A9 | FE/CU-MEDIATED KETONE SYNTHESIS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2021-06-17 | — | — | US | disclosed |
| US-20200165183-A1 | FE/CU-MEDIATED KETONE SYNTHESIS | President and Fellows of Flarvard College (US) | 2020-05-28 | — | — | US | disclosed |
| EP-2509938-A1 | FTY720 HALOGENATED DERIVATIVES | Novartis AG (CH) | 2012-10-17 | — | — | EP | disclosed |
| WO-2012135669-A1 | NITROGEN RING CONTAINING COMPOUNDS FOR TREATMENT OF INFLAMMATORY DISORDERS | WEINGARTEN M DAVID (US) | 2012-10-04 | — | — | WO | disclosed |
| US-20120244071-A1 | FTY720 HALOGENATED DERIVATIVES | NOVARTIS AG (CH) | 2012-09-27 | — | — | US | disclosed |
| US-20120244071-A1 | FTY720 HALOGENATED DERIVATIVES | NOVARTIS AG (CH) | 2012-09-27 | — | — | US | disclosed |
| US-20120244071-A1 | FTY720 HALOGENATED DERIVATIVES | NOVARTIS AG (CH) | 2012-09-27 | — | — | US | disclosed |
| WO-2011070066-A1 | FTY720 HALOGENATED DERIVATIVES | NOVARTIS AG (CH) | 2011-06-16 | — | — | WO | disclosed |
| WO-2011070066-A1 | FTY720 HALOGENATED DERIVATIVES | NOVARTIS AG (CH) | 2011-06-16 | — | — | WO | disclosed |