⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2962897 | 0.61 | — | — | |
| SCHEMBL6643599 | 0.56 | — | — | |
| SCHEMBL6687735 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL7108261 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL8595693 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL7634975 | 0.53 | — | — | |
| SCHEMBL2433738 | 0.50 | — | — | |
| SCHEMBL3067624 | 0.50 | — | — | |
| Biphenyl SCHEMBL1072001 | 0.46 | ALDH1A1 (0.69) | — | |
| Naphthalene SCHEMBL1155630 | 0.39 | CYP2A6 (0.89) | — |
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-1042378-A1 | METHOD FOR PRODUCING ELASTOMERS | BAYER AG (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032532-A1 | METHOD FOR PRODUCING ELASTOMERS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-01 | — | — | WO | disclosed |