⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11395166 | 0.85 | — | — | |
| SCHEMBL18642709 | 0.81 | — | — | |
| SCHEMBL713944 | 0.81 | — | — | |
| SCHEMBL2139010 | 0.73 | — | — | |
| SCHEMBL17993619 | 0.72 | — | — | |
| SCHEMBL6959612 | 0.72 | — | — | |
| SCHEMBL18601425 | 0.72 | — | — | |
| SCHEMBL2019991 | 0.71 | — | — | |
| SCHEMBL11652590 | 0.65 | ALDH1A1 (0.44) | — | |
| Dimethyl Sulfoxide SCHEMBL9743175 | 0.59 | ALDH1A1 (0.57) | — |
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-5935993-A | TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS | SUGEN, INC. (US) | 1999-08-10 | — | — | US | disclosed |