⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73409 | 0.80 | — | — | |
| SCHEMBL29242827 | 0.80 | HMGCR (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL27430543 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL1569440 | 0.78 | — | — | |
| SCHEMBL417893 | 0.76 | CA1 (0.33) | — | |
| SCHEMBL1654321 | 0.75 | — | — | |
| SCHEMBL28742633 | 0.75 | HMGCR (0.63) | — | |
| SCHEMBL3670237 | 0.74 | FFAR3 (0.38) | — | |
| SCHEMBL2430470 | 0.73 | HMGCR (0.67) | — | |
| SCHEMBL1933871 | 0.73 | HMGCR (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013149338-A1 | PHOTOCHROMIC SWIM GOGGLES STRUCTURE AND METHOD OF MANUFACTURING THE SAME | SHELDON BRENT (CA) | 2013-10-10 | — | — | WO | disclosed |