⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19657208 | 0.78 | — | — | |
| SCHEMBL18306588 | 0.72 | — | — | |
| SCHEMBL16378625 | 0.69 | — | — | |
| SCHEMBL24625541 | 0.69 | — | — | |
| SCHEMBL23132305 | 0.67 | — | — | |
| SCHEMBL8388683 | 0.65 | — | — | |
| Acetic Acid SCHEMBL6675821 | 0.65 | TDP1 (0.47) | — | |
| Acetic Acid SCHEMBL6674104 | 0.65 | — | — | |
| SCHEMBL130758 | 0.64 | — | — | |
| SCHEMBL14290767 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10023557-B2 | Therapeutic inhibitory compounds | LIFESCI PHARMACEUTICALS, INC. (BB) | 2018-07-17 | — | — | US | disclosed |
| US-20170029406-A1 | THERAPEUTIC INHIBITORY COMPOUNDS | ATTUNE PHARMACEUTICALS, INC. | 2017-02-02 | — | — | US | disclosed |