⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24086587 | 0.80 | PDE2A (0.31) | — | |
| SCHEMBL23489980 | 0.80 | PDE2A (0.31) | — | |
| SCHEMBL24086661 | 0.78 | CYP3A4 (0.33) | — | |
| SCHEMBL16702633 | 0.78 | — | — | |
| SCHEMBL23489636 | 0.77 | PDE2A (0.40) | — | |
| SCHEMBL23751055 | 0.77 | PDE2A (0.33) | — | |
| SCHEMBL20972087 | 0.77 | PDE2A (0.37) | — | |
| SCHEMBL22438785 | 0.77 | PDE2A (0.37) | — | |
| SCHEMBL23908261 | 0.77 | PDE2A (0.37) | — | |
| SCHEMBL29047862 | 0.76 | CYP3A4 (0.33) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025096751-A1 | MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE | ESPERION THERAPEUTICS, INC. (US) | 2025-05-08 | — | — | WO | disclosed |
| EP-3066093-B9 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-02-07 | — | — | EP | disclosed |
| EP-3066093-B9 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-02-07 | — | — | EP | disclosed |
| EP-3066093-B1 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-04 | — | — | EP | disclosed |
| EP-3066093-B1 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-04 | — | — | EP | disclosed |
| US-9718804-B2 | GSK-3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-01 | — | — | US | disclosed |
| US-9718804-B2 | GSK-3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-01 | — | — | US | disclosed |
| US-9718804-B2 | GSK-3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-01 | — | — | US | disclosed |
| US-20160272621-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-09-22 | — | — | US | disclosed |
| US-20160272621-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-09-22 | — | — | US | disclosed |
| US-20160272621-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-09-22 | — | — | US | disclosed |
| EP-3066093-A1 | GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-09-14 | — | — | EP | disclosed |
| WO-2015069594-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-14 | — | — | WO | disclosed |
| WO-2015069594-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-14 | — | — | WO | disclosed |