⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7021 | 0.97 | — | — | |
| SCHEMBL28158233 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28784548 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL19514814 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL8957340 | 0.95 | — | — | |
| Phosphine SCHEMBL28132047 | 0.95 | — | — | |
| Cyclopropane SCHEMBL27774257 | 0.91 | TLK2 (0.37) | — | |
| Methyl Alcohol SCHEMBL27627455 | 0.91 | — | — | |
| Butane SCHEMBL28673006 | 0.87 | ALDH1A1 (0.38) | — | |
| Alcohol SCHEMBL29279284 | 0.85 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114870859-A | Copper-based catalyst for hydrogen production by methanol steam reforming and preparation method thereof | 宁波中科科创新能源科技有限公司 | 2022-08-09 | — | — | CN | disclosed |