⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1356337 | 0.76 | ESR2 (0.30) | — | |
| SCHEMBL10013220 | 0.74 | — | — | |
| SCHEMBL28644825 | 0.74 | — | — | |
| SCHEMBL24806837 | 0.70 | — | — | |
| SCHEMBL213006 | 0.69 | — | — | |
| SCHEMBL4186366 | 0.69 | — | — | |
| SCHEMBL17339712 | 0.68 | — | — | |
| SCHEMBL2977303 | 0.67 | HPGD (0.33) | — | |
| SCHEMBL16177472 | 0.66 | — | — | |
| Acetic Acid SCHEMBL1396681 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100010267-A1 | ADDITION OF H2S TO TERPENES FOR PRODUCING NOVEL MOLAR MASS REGULATORS FOR RADICAL POLYMERISATIONS | BASF SE (DE) | 2010-01-14 | — | — | US | disclosed |
| US-20100010267-A1 | ADDITION OF H2S TO TERPENES FOR PRODUCING NOVEL MOLAR MASS REGULATORS FOR RADICAL POLYMERISATIONS | BASF SE (DE) | 2010-01-14 | — | — | US | disclosed |
| WO-2008046801-A2 | ADDITION OF H2S TO TERPENES FOR PRODUCING NOVEL MOLAR MASS REGULATORS FOR RADICAL POLYMERISATIONS | BASF SE (DE) | 2008-04-24 | — | — | WO | disclosed |