⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL7363198 | 0.95 | — | — | |
| Naphthalene SCHEMBL11585432 | 0.89 | CHKA (0.46) | — | |
| Ethylamine SCHEMBL17061531 | 0.85 | CHKA (0.43) | — | |
| SCHEMBL28694693 | 0.85 | CHKA (0.47) | — | |
| SCHEMBL6515380 | 0.78 | APEX1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL29804215 | 0.67 | FKBP5 (0.41) | — | |
| SCHEMBL19089065 | 0.67 | APEX1 (0.42) | — | |
| SCHEMBL21955684 | 0.67 | APEX1 (0.42) | — | |
| SCHEMBL4359812 | 0.67 | — | — | |
| SCHEMBL10730039 | 0.64 | CHKA (0.44) | — |
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-112028583-A | Anti-permeability wear-resistant concrete and preparation method thereof | 浙江拓邦混凝土有限公司 | 2020-12-04 | — | — | CN | disclosed |