⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11580351 | 1.00 | — | — | |
| SCHEMBL11580350 | 1.00 | — | — | |
| SCHEMBL1364694 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL14800727 | 0.80 | — | — | |
| SCHEMBL3548857 | 0.74 | — | — | |
| SCHEMBL1835259 | 0.72 | — | — | |
| SCHEMBL3336999 | 0.72 | — | — | |
| SCHEMBL3337002 | 0.72 | — | — | |
| SCHEMBL19018827 | 0.72 | — | — | |
| SCHEMBL20408897 | 0.69 | — | — |
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-4098881-A | COMPOSITIONS TO CONTROL THE CHRONIC EFFECTS OF EXPOSURE TO SUNLIGHT COMPRISING CONJUGATED DIENES | THE PROCTER & GAMBLE COMPANY (US) | 1978-07-04 | — | — | US | disclosed |