⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3799502 | 0.82 | — | — | |
| SCHEMBL11233637 | 0.77 | — | — | |
| Sulfuric Acid SCHEMBL11853988 | 0.75 | — | — | |
| SCHEMBL10373652 | 0.75 | — | — | |
| SCHEMBL459990 | 0.75 | TDP1 (0.39) | — | |
| SCHEMBL10027876 | 0.73 | CA2 (0.43) | — | |
| SCHEMBL12400279 | 0.73 | CA2 (0.43) | — | |
| SCHEMBL7892946 | 0.73 | HMOX1 (0.30) | — | |
| SCHEMBL12399571 | 0.73 | CA2 (0.43) | — | |
| SCHEMBL2106366 | 0.72 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3066093-B9 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-02-07 | — | — | EP | claimed |
| EP-3066093-B1 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-04 | — | — | EP | claimed |
| US-9718804-B2 | GSK-3 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-08-01 | — | — | US | claimed |
| US-20160272621-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-09-22 | — | — | US | claimed |
| EP-3066093-A1 | GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-09-14 | — | — | EP | claimed |
| WO-2015069594-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-14 | — | — | WO | claimed |
| 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 |
| 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 |
| 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 |