⚠ 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 SCHEMBL7925853 | 0.95 | — | — | |
| SCHEMBL7928523 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL7925430 | 0.81 | — | — | |
| SCHEMBL7924553 | 0.80 | — | — | |
| SCHEMBL7925590 | 0.79 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7927563 | 0.78 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7930363 | 0.76 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL7919502 | 0.76 | L3MBTL1 (0.30) | — | |
| SCHEMBL7927420 | 0.76 | ALDH1A1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7924686 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0867454-B1 | POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS | IDEMITSU KOSAN CO (JP) | 2001-03-21 | — | — | EP | disclosed |
| US-6075102-A | Polymerization catalyst and process for producing polymers | IDEMITSU KOSAN CO., LTD. (JP) | 2000-06-13 | — | — | US | disclosed |
| EP-0867454-A1 | POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-09-30 | — | — | EP | disclosed |