⚠ 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 SCHEMBL27923833 | 0.77 | — | — | |
| SCHEMBL29092844 | 0.76 | — | — | |
| SCHEMBL12458294 | 0.73 | GAA (0.39) | — | |
| Boric Acid SCHEMBL28233693 | 0.73 | ACHE (0.38) | — | |
| SCHEMBL14994336 | 0.73 | — | — | |
| Boric Acid SCHEMBL3009015 | 0.73 | KCNH2 (0.33) | — | |
| Boric Acid SCHEMBL27908262 | 0.72 | CYP1A2 (0.36) | — | |
| Boric Acid SCHEMBL29129554 | 0.71 | EPAS1 (0.31) | — | |
| Boric Acid SCHEMBL28167570 | 0.71 | CA1 (0.36) | — | |
| Boric Acid SCHEMBL27893713 | 0.70 | CYP1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104144922-A | As EP2Novel 2H-indazoles as receptor antagonists | BAYER IP GMBH | 2014-11-12 | — | — | CN | disclosed |