⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL902412 | 0.81 | LMNA (0.35) | — | |
| SCHEMBL18217921 | 0.80 | — | — | |
| SCHEMBL3958833 | 0.79 | — | — | |
| SCHEMBL17244095 | 0.75 | HDAC1 (0.50) | — | |
| SCHEMBL27795551 | 0.75 | — | — | |
| SCHEMBL65182 | 0.73 | KISS1R (0.38) | — | |
| SCHEMBL12513980 | 0.70 | KISS1R (0.48) | — | |
| Acetic Acid Methyl Ester SCHEMBL2478740 | 0.70 | ALDH1A1 (0.43) | — | |
| SCHEMBL2693601 | 0.70 | THRB (0.44) | — | |
| SCHEMBL18217929 | 0.69 | KISS1R (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3002283-B1 | THIAZOLE DERIVATIVES | KYOWA HAKKO KIRIN CO LTD (JP) | 2017-06-14 | — | — | EP | disclosed |