⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL266763 | 1.00 | — | — | |
| SCHEMBL10273863 | 1.00 | — | — | |
| SCHEMBL92347 | 1.00 | — | — | |
| SCHEMBL2242257 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25361523 | 0.97 | CCR5 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3207412 | 0.97 | CCR5 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3852859 | 0.97 | CCR5 (0.33) | — | |
| Hydrochloric Acid SCHEMBL74538 | 0.97 | CCR5 (0.33) | — | |
| SCHEMBL8204795 | 0.84 | CCR5 (0.30) | — | |
| SCHEMBL14290221 | 0.82 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |