⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7646555 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL6471147 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL6469810 | 0.84 | — | — | |
| SCHEMBL7168577 | 0.84 | — | — | |
| SCHEMBL1922808 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL7170105 | 0.83 | — | — | |
| SCHEMBL9659749 | 0.78 | GPR3 (0.32) | — | |
| SCHEMBL9244149 | 0.78 | GPR3 (0.32) | — | |
| SCHEMBL27348447 | 0.77 | HTR2B (0.33) | — | |
| SCHEMBL6139097 | 0.77 | GPR3 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0775148-B2 | BISCYCLOPENTADIENYL DIENE COMPLEXES | DOW CHEMICAL CO (US) | 2003-01-02 | — | — | EP | claimed |
| EP-0775148-B1 | BISCYCLOPENTADIENYL DIENE COMPLEXES | DOW CHEMICAL CO (US) | 1999-08-25 | — | — | EP | claimed |