⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3501850 | 1.00 | — | — | |
| SCHEMBL11941601 | 1.00 | — | — | |
| SCHEMBL11941599 | 1.00 | — | — | |
| SCHEMBL10397241 | 1.00 | — | — | |
| SCHEMBL3137288 | 0.81 | — | — | |
| SCHEMBL93553 | 0.78 | — | — | |
| SCHEMBL5868527 | 0.77 | — | — | |
| SCHEMBL18649757 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL3678923 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL9763067 | 0.75 | SPHK1 (0.43) | — |
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-4978794-A | REACTING WITH AN ALDEHYDE TO FORM OPTICALLY ACTIVE ALCOHOLS | ALDRICH CHEMICAL COMPANY, INC. (US) | 1990-12-18 | — | — | US | disclosed |