⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9701050 | 0.85 | CA2 (0.32) | — | |
| Hydrogen Peroxide SCHEMBL2051538 | 0.82 | CA2 (0.33) | — | |
| Bicarbonate SCHEMBL27594838 | 0.79 | CA2 (0.33) | — | |
| SCHEMBL27623481 | 0.78 | CA2 (0.35) | — | |
| SCHEMBL52 | 0.78 | CA2 (0.35) | — | |
| Boric Acid SCHEMBL28203899 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL6200119 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL18947455 | 0.77 | CA2 (0.30) | — | |
| SCHEMBL27530442 | 0.76 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8958370 | 0.76 | CA2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107004912-A | Electrolyte and metal hydride battery | 巴斯夫公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-1213058-C | FAP-activated anti-tumor compounds | BOEHRINGER INGELHEIM PHARMA (DE) | 2005-08-03 | — | — | CN | disclosed |
| CN-1374969-A | FAP-activated anti-tumor compounds | BOEHRINGER SOHN INGELHEIM (DE) | 2002-10-16 | — | — | CN | disclosed |