⚠ 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 SCHEMBL8168843 | 0.96 | — | — | |
| Diphenyleneiodonium SCHEMBL29486373 | 0.81 | GPR3 (1.00) | — | |
| Diphenyleneiodonium SCHEMBL219548 | 0.81 | GPR3 (1.00) | — | |
| Diphenyleneiodonium SCHEMBL159318 | 0.78 | GPR3 (1.00) | — | |
| Diphenyleneiodonium SCHEMBL10834144 | 0.78 | GPR3 (0.93) | — | |
| Diphenyleneiodonium SCHEMBL30150802 | 0.78 | GPR3 (1.00) | — | |
| Diphenyleneiodonium SCHEMBL5547280 | 0.75 | GPR3 (0.94) | — | |
| SCHEMBL779678 | 0.65 | — | — | |
| SCHEMBL10571243 | 0.65 | — | — | |
| SCHEMBL3971238 | 0.65 | — | — |
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-0954596-A1 | ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES | PHYTON, INC. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1997044476-A1 | ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES | PHYTON, INC. (US) | 1997-11-27 | — | — | WO | disclosed |