⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL22191150 | 0.98 | — | — | |
| SCHEMBL31549543 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL23919231 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL7543135 | 0.79 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8302341 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL10374187 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL19341401 | 0.70 | OPRD1 (0.32) | — | |
| SCHEMBL23349923 | 0.69 | PHGDH (0.34) | — | |
| SCHEMBL18982022 | 0.62 | LMNA (0.44) | — | |
| SCHEMBL29289136 | 0.62 | LMNA (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112585121-B | Process for the preparation of gadobutrol | ST制药株式会社 | 2023-11-21 | — | — | CN | disclosed |
| WO-2020040617-A1 | METHOD OF MANUFACTURING GADOBUTROL | 에스티팜 주식회사 | 2020-02-27 | — | — | WO | disclosed |