⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4016867 | 0.86 | — | — | |
| SCHEMBL13667845 | 0.78 | — | — | |
| SCHEMBL12236470 | 0.78 | — | — | |
| SCHEMBL7111885 | 0.76 | — | — | |
| SCHEMBL2356962 | 0.76 | TBXA2R (0.33) | — | |
| SCHEMBL2357652 | 0.76 | TBXA2R (0.33) | — | |
| SCHEMBL2301426 | 0.76 | TBXA2R (0.33) | — | |
| SCHEMBL2357655 | 0.76 | TBXA2R (0.33) | — | |
| SCHEMBL1806165 | 0.73 | — | — | |
| SCHEMBL11358254 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5414173-A | Process of preparing cyclopentadiene and substituted derivatives thereof | THE DOW CHEMICAL COMPANY (US) | 1995-05-09 | — | — | US | disclosed |