⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL661313 | 0.73 | — | — | |
| SCHEMBL1936999 | 0.64 | — | — | |
| SCHEMBL677600 | 0.62 | — | — | |
| SCHEMBL13811067 | 0.62 | CA1 (0.57) | — | |
| SCHEMBL13889227 | 0.62 | — | — | |
| SCHEMBL19499989 | 0.60 | CA1 (0.41) | — | |
| SCHEMBL3938680 | 0.60 | CA1 (0.37) | — | |
| SCHEMBL8021885 | 0.59 | CA1 (0.31) | — | |
| SCHEMBL11124096 | 0.55 | CA1 (0.42) | — | |
| SCHEMBL7634600 | 0.55 | — | — |
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-20200148702-A1 | COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS | DANA FARBER CANCER INST INC (US) | 2020-05-14 | — | — | US | disclosed |