⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2246628 | 0.74 | — | — | |
| SCHEMBL30046 | 0.70 | — | — | |
| SCHEMBL10357731 | 0.70 | — | — | |
| SCHEMBL10757384 | 0.69 | KMT2A (0.31) | — | |
| SCHEMBL10816640 | 0.68 | CYP2C19 (0.43) | — | |
| SCHEMBL6425230 | 0.68 | — | — | |
| SCHEMBL10757390 | 0.67 | — | — | |
| SCHEMBL474276 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL11493981 | 0.65 | GAA (0.33) | — | |
| SCHEMBL252327 | 0.64 | — | — |
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-0163245-B1 | DERIVATIVES OF ALKYL-SUBSTITUTED 4-HYDROXY-METHYL-PIPERIDINE AND USE THEREOF AS STABILIZERS | AUSIMONT S.r.l. (IT) | 1991-07-31 | — | — | EP | disclosed |