⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL27950779 | 0.80 | — | — | |
| Formic Acid SCHEMBL11420267 | 0.80 | — | — | |
| Boric Acid SCHEMBL11330199 | 0.76 | — | — | |
| Formic Acid SCHEMBL11592629 | 0.75 | — | — | |
| Formic Acid SCHEMBL11153346 | 0.75 | — | — | |
| Formic Acid SCHEMBL9472719 | 0.75 | — | — | |
| Formic Acid SCHEMBL139759 | 0.75 | — | — | |
| Formic Acid SCHEMBL11073136 | 0.75 | — | — | |
| Formic Acid SCHEMBL6682610 | 0.74 | ALDH1A1 (0.38) | — | |
| Formic Acid SCHEMBL6684167 | 0.74 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010130708-A9 | BETA-LACTAMASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2011-01-13 | — | — | WO | disclosed |
| WO-2010130708-A1 | BETA-LACTAMASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-11-18 | — | — | WO | disclosed |