⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL327639 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8055085 | 0.81 | — | — | |
| SCHEMBL2696185 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL2699373 | 0.67 | — | — | |
| SCHEMBL7936015 | 0.66 | — | — | |
| SCHEMBL7040700 | 0.66 | — | — | |
| SCHEMBL2208283 | 0.65 | CYP3A4 (0.30) | — | |
| SCHEMBL7568134 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL3186176 | 0.63 | CYP3A4 (0.35) | — | |
| SCHEMBL10405350 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6232516-B1 | Process for cyclopentadiene substitution | DSM N.V. (NL) | 2001-05-15 | — | — | US | disclosed |
| US-6072067-A | Cyclopentadiene compound substituted with a hetero atom-containing group | DSM N.V. (NL) | 2000-06-06 | — | — | US | disclosed |