⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL533267 | 0.88 | PARP1 (0.35) | — | |
| SCHEMBL2452059 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL152508 | 0.83 | CYP1A2 (0.33) | — | |
| SCHEMBL21410550 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL27542535 | 0.81 | IMPDH2 (0.43) | — | |
| SCHEMBL15987698 | 0.81 | COMT (0.38) | — | |
| SCHEMBL2448398 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL2448163 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL385879 | 0.76 | METAP2 (0.38) | — | |
| SCHEMBL2455600 | 0.76 | PRKDC (0.35) | — |
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-4426471-A | TETRAALKYLPIPERIDINES | CIBA-GEIGY CORPORATION (US) | 1984-01-17 | — | — | US | disclosed |
| US-4344876-A | N-SUBSTITUTED 2,2,6,6-TETRAALYKYL PIPERIDINE PHOTOSTABILIZERS | CIBA-GEIGY CORPORATION (US) | 1982-08-17 | — | — | US | disclosed |