⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9032480 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL9223530 | 0.75 | — | — | |
| SCHEMBL607506 | 0.74 | NOTUM (0.32) | — | |
| SCHEMBL7210084 | 0.72 | — | — | |
| SCHEMBL28414326 | 0.70 | NOTUM (0.31) | — | |
| SCHEMBL9227676 | 0.69 | GAA (0.33) | — | |
| SCHEMBL9273390 | 0.69 | MCL1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL10435581 | 0.69 | GAA (0.33) | — | |
| SCHEMBL11202182 | 0.65 | NOTUM (0.39) | — | |
| Hydrochloric Acid SCHEMBL10432400 | 0.64 | NOTUM (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 |
|---|---|---|---|---|---|---|---|
| JP-2011527336-A | — | — | 2011-10-27 | — | — | JP | claimed |
| WO-2010004394-A1 | 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS | VETOQUINOL SA (FR) | 2010-01-14 | — | — | WO | claimed |