⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6139097 | 0.87 | GPR3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL8458988 | 0.86 | GPR3 (0.30) | — | |
| SCHEMBL27348447 | 0.74 | HTR2B (0.33) | — | |
| SCHEMBL7208453 | 0.73 | — | — | |
| SCHEMBL9244149 | 0.72 | GPR3 (0.32) | — | |
| SCHEMBL9659749 | 0.72 | GPR3 (0.32) | — | |
| SCHEMBL698267 | 0.71 | POLB (0.33) | — | |
| SCHEMBL3900299 | 0.71 | GPR3 (0.31) | — | |
| SCHEMBL1922808 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3801311 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0775148-B2 | BISCYCLOPENTADIENYL DIENE COMPLEXES | DOW CHEMICAL CO (US) | 2003-01-02 | — | — | EP | claimed |