⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3487755 | 0.87 | — | — | |
| SCHEMBL1537973 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL9599811 | 0.84 | MAPT (0.38) | — | |
| Bicarbonate SCHEMBL5505471 | 0.82 | HMGCR (0.42) | — | |
| SCHEMBL9390107 | 0.78 | MAPT (0.38) | — | |
| SCHEMBL10703322 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL9617990 | 0.74 | — | — | |
| SCHEMBL336188 | 0.74 | — | — | |
| SCHEMBL9135714 | 0.74 | — | — | |
| SCHEMBL8522169 | 0.74 | ALDH1A1 (0.30) | — |
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-5266708-A | New intermediates, process for their preparation, and their use for the synthesis of vitamins A and E | RHONE-POULENC NUTRITION ANIMALE (FR) | 1993-11-30 | — | — | US | disclosed |
| US-5120864-A | INTERMEDIATES, PROCESS FOR THEIR PREPARATION, AND THEIR USE FOR THE SYNTHESIS OF VITAMINS A AND E | RHONE-POULENC NUTRITION ANIMALE (FR) | 1992-06-09 | — | — | US | disclosed |