⚠ 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 SCHEMBL7907695 | 0.98 | — | — | |
| SCHEMBL7636795 | 0.69 | — | — | |
| SCHEMBL6907633 | 0.69 | — | — | |
| SCHEMBL8041061 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6942846 | 0.67 | — | — | |
| SCHEMBL7196014 | 0.66 | — | — | |
| SCHEMBL6055269 | 0.65 | — | — | |
| SCHEMBL7195986 | 0.65 | — | — | |
| SCHEMBL6024282 | 0.63 | CRHBP (0.30) | — | |
| SCHEMBL28174835 | 0.63 | CYP3A4 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042336-A1 | PI-COMPLEX COMPOUNDS | Bayer Aktiengesellschaft (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033852-A1 | π-COMPLEX COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-08 | — | — | WO | disclosed |
| EP-0912585-A1 | METALLOCENE COMPOUNDS | BAYER AG (DE) | 1999-05-06 | — | — | EP | disclosed |
| EP-0909281-A1 | METHOD FOR PRODUCING ELASTOMERS | BAYER AG (DE) | 1999-04-21 | — | — | EP | disclosed |
| WO-1998001487-A9 | METHOD FOR PRODUCING ELASTOMERS | — | 1998-07-02 | — | — | WO | disclosed |
| WO-1998001484-A9 | METHOD FOR PRODUCING CYCLOOLEFIN (CO)POLYMERS FOR TECHNICAL APPLICATIONS | — | 1998-05-07 | — | — | WO | disclosed |
| WO-1998001455-A1 | METALLOCENE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-01-15 | — | — | WO | disclosed |
| WO-1998001487-A1 | METHOD FOR PRODUCING ELASTOMERS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-01-15 | — | — | WO | disclosed |