⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11533442 | 0.94 | NAAA (0.34) | — | |
| SCHEMBL2834466 | 0.93 | NAAA (0.36) | — | |
| SCHEMBL11535520 | 0.90 | NAAA (0.43) | — | |
| SCHEMBL7726281 | 0.88 | NAAA (0.33) | — | |
| SCHEMBL11535623 | 0.83 | CHRM1 (0.35) | — | |
| SCHEMBL11532289 | 0.81 | CYP3A4 (0.31) | — | |
| Benzil SCHEMBL15008957 | 0.79 | CYP2D6 (0.37) | — | |
| SCHEMBL9759942 | 0.79 | OPRM1 (0.35) | — | |
| SCHEMBL11537693 | 0.79 | KMT2A (0.43) | — | |
| SCHEMBL11666975 | 0.79 | PRKCA (0.34) | — |
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-4141883-A | Stabilization of synthetic polymers by penta-or-hexa-substituted 4-piperidinol derivatives | SANKYO COMPANY, LIMITED (JP) | 1979-02-27 | — | — | US | disclosed |
| US-4075165-A | 2,2,6,6-TETRA-SUBSTITUTED-4-PIPERIDINOL | CIBA-GEIGY CORPORATION (US) | 1978-02-21 | — | — | US | disclosed |