⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28039407 | 0.92 | — | — | |
| SCHEMBL4908852 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL27799580 | 0.79 | — | — | |
| SCHEMBL2983504 | 0.69 | — | — | |
| SCHEMBL1602869 | 0.69 | — | — | |
| SCHEMBL57383 | 0.69 | — | — | |
| Methane SCHEMBL1189865 | 0.67 | — | — | |
| SCHEMBL31365180 | 0.67 | — | — | |
| SCHEMBL31365181 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1047426 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997031901-A1 | HYDROXYHEXAHYDROPYRIDAZINES | BOLS MIKAEL (DK) | 1997-09-04 | — | — | WO | disclosed |
| WO-1997031901-A1 | HYDROXYHEXAHYDROPYRIDAZINES | BOLS MIKAEL (DK) | 1997-09-04 | — | — | WO | disclosed |
| EP-0211805-A2 | N-(2-fluorophenyl)azolidines | CIBA-GEIGY AG (CH) | 1987-02-25 | — | — | EP | disclosed |