⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL974538 | 0.65 | — | — | |
| SCHEMBL5268020 | 0.61 | — | — | |
| SCHEMBL859501 | 0.59 | — | — | |
| SCHEMBL1062021 | 0.58 | — | — | |
| SCHEMBL5199496 | 0.55 | PARP15 (0.33) | — | |
| SCHEMBL9453338 | 0.55 | KDM4E (0.33) | — | |
| SCHEMBL17796550 | 0.52 | — | — | |
| SCHEMBL411789 | 0.52 | — | — | |
| SCHEMBL659129 | 0.42 | — | — | |
| SCHEMBL29952037 | 0.38 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |
| US-6939874-B2 | Substituted pyrimidinyl derivatives and methods of use | AMGEN INC. (US) | 2005-09-06 | — | — | US | disclosed |
| EP-1549600-A1 | KETONES | AstraZeneca AB (SE) | 2005-07-06 | — | — | EP | disclosed |
| WO-2004011410-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2004-02-05 | — | — | WO | disclosed |