⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL911626 | 1.00 | — | — | |
| SCHEMBL16339 | 0.95 | — | — | |
| SCHEMBL1875382 | 0.95 | ALDH1A1 (0.58) | — | |
| Propane SCHEMBL28163609 | 0.91 | — | — | |
| Water SCHEMBL4798777 | 0.90 | — | — | |
| SCHEMBL3828904 | 0.90 | — | — | |
| Hydrazine SCHEMBL7939882 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL11019612 | 0.90 | — | — | |
| Bromide SCHEMBL14157491 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL4701992 | 0.90 | — | — |
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-4522984-A | WITH E-CAPROLACTONE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1985-06-11 | — | — | US | disclosed |