⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL285223 | 0.97 | GABRP (0.62) | — | |
| SCHEMBL25603 | 0.97 | — | — | |
| Water SCHEMBL28053011 | 0.94 | — | — | |
| Ethane SCHEMBL29077102 | 0.94 | GABRP (0.59) | — | |
| Ammonia Solution, Strong SCHEMBL27810486 | 0.94 | — | — | |
| SCHEMBL125656 | 0.94 | — | — | |
| SCHEMBL8741776 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL692089 | 0.94 | — | — | |
| SCHEMBL8741784 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29184689 | 0.94 | GABRP (0.59) | — |
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-109912406-A | A kind of synthetic method of 2- hydroxy isocaproic acid calcium | 常州市天华制药有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-109820787-A | A kind of composition of the anti-sensitivity of tooth containing calcium salt | 吕天宽 | 2019-05-31 | — | — | CN | disclosed |