⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5512486 | 0.92 | GPR84 (0.39) | — | |
| SCHEMBL9423565 | 0.86 | EYA2 (0.30) | — | |
| SCHEMBL5548837 | 0.83 | — | — | |
| SCHEMBL9423516 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL9423435 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL9423718 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL28527803 | 0.79 | — | — | |
| SCHEMBL454668 | 0.77 | — | — | |
| SCHEMBL29406149 | 0.77 | NFKB1 (0.44) | — | |
| SCHEMBL1154654 | 0.75 | AKR1B1 (0.42) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2011526931-A | — | — | 2011-10-20 | — | — | JP | claimed |
| US-20110201599-A1 | CDK Modulators | EXELIXIS, INC. (US) | 2011-08-18 | — | — | US | claimed |
| EP-2320895-A2 | CDK MODULATORS | Exelixis, Inc. (US) | 2011-05-18 | — | — | EP | claimed |
| WO-2010003133-A2 | CDK MODULATORS | EXELIXIS INC. (US) | 2010-01-07 | — | — | WO | claimed |
| US-20110201599-A1 | CDK Modulators | EXELIXIS, INC. (US) | 2011-08-18 | — | — | US | disclosed |
| EP-2320895-A2 | CDK MODULATORS | Exelixis, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010003133-A2 | CDK MODULATORS | EXELIXIS INC. (US) | 2010-01-07 | — | — | WO | disclosed |