⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11586409 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL11586407 | 0.82 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL11587537 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL26373816 | 0.78 | SQLE (0.32) | — | |
| SCHEMBL11706643 | 0.77 | SQLE (0.31) | — | |
| SCHEMBL12295120 | 0.77 | CYP1A1 (0.38) | — | |
| SCHEMBL11706651 | 0.77 | SQLE (0.31) | — | |
| SCHEMBL10246556 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL3694379 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL12379948 | 0.72 | GAA (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9611200-B2 | (6R,10R)-6,10,14-trimetylpentadecan-2-one prepared from 6,10,14 trimetylpentadeca-5,9,13-trien-2-one or 6,10,14-trimetylpentadeca-5,9-dien-2-one | DSM IP ASSETS B.V. (NL) | 2017-04-04 | — | — | US | disclosed |