⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL218983 | 0.75 | — | — | |
| SCHEMBL87533 | 0.72 | — | — | |
| SCHEMBL20523585 | 0.70 | — | — | |
| SCHEMBL17791784 | 0.69 | — | — | |
| SCHEMBL4065971 | 0.68 | HCAR2 (0.46) | — | |
| SCHEMBL29689434 | 0.67 | — | — | |
| Piperazine SCHEMBL27601703 | 0.67 | — | — | |
| SCHEMBL23641148 | 0.67 | MEN1 (0.36) | — | |
| SCHEMBL6050863 | 0.65 | — | — | |
| SCHEMBL28334937 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451279-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS | Akebia Therapeutics Inc. (US) | 2012-05-16 | — | — | EP | claimed |
| WO-2011005330-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS | AKEBIA THERAPEUTICS INC. (US) | 2011-01-13 | — | — | WO | claimed |
| US-20050272789-A1 | Triazole-derived kinase inhibitors and uses thereof | HALE MICHAEL R | 2005-12-08 | — | — | US | disclosed |