⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9903001 | 1.00 | — | — | |
| SCHEMBL19002506 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL22269970 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL11288076 | 0.71 | MAPT (0.42) | — | |
| SCHEMBL28447842 | 0.70 | MEN1 (0.42) | — | |
| SCHEMBL19342865 | 0.70 | GRK6 (0.36) | — | |
| SCHEMBL19328574 | 0.70 | GRK6 (0.36) | — | |
| SCHEMBL18998453 | 0.70 | — | — | |
| SCHEMBL7475896 | 0.70 | KDM4E (0.42) | — | |
| SCHEMBL11105312 | 0.69 | ALDH1A1 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9765064-B1 | Alpha-hydroxy-beta-azido-tetrazoles | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-09-19 | — | — | US | disclosed |
| US-20170260171-A1 | ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2017-09-14 | — | — | US | disclosed |