⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254922 | 0.83 | ALDH1A1 (0.59) | — | |
| SCHEMBL2948821 | 0.81 | — | — | |
| SCHEMBL13237108 | 0.81 | — | — | |
| SCHEMBL2948824 | 0.81 | — | — | |
| SCHEMBL212884 | 0.76 | RBBP9 (0.55) | — | |
| SCHEMBL940990 | 0.73 | HKDC1 (0.58) | — | |
| SCHEMBL940992 | 0.73 | HKDC1 (0.58) | — | |
| SCHEMBL213922 | 0.73 | RBBP9 (0.52) | — | |
| SCHEMBL8213363 | 0.73 | — | — | |
| SCHEMBL14270444 | 0.72 | HKDC1 (0.60) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150302140-A1 | IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES | H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2015-10-22 | — | — | US | disclosed |