⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL28073422 | 1.00 | ALDH1A1 (0.33) | — | |
| Ethylene SCHEMBL4394054 | 0.95 | MEN1 (0.32) | — | |
| Ethylene SCHEMBL6061375 | 0.95 | MEN1 (0.32) | — | |
| SCHEMBL2701991 | 0.90 | — | — | |
| SCHEMBL1736341 | 0.89 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.89 | — | — | |
| SCHEMBL124190 | 0.89 | — | — | |
| Formaldehyde SCHEMBL10385346 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL5047658 | 0.84 | ALDH1A1 (0.36) | — | |
| Water SCHEMBL812317 | 0.84 | ALDH1A1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109789247-A | Contain the implantation material for inhibiting calcium carbonate | 卡尔莱布宁医疗技术有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-109689123-A | The implantation material of the composite powder containing calcium salt with the particle for structure | 卡尔莱布宁医疗技术有限公司 | 2019-04-26 | — | — | CN | disclosed |