⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL229839 | 0.79 | — | — | |
| SCHEMBL3223765 | 0.77 | — | — | |
| SCHEMBL9770140 | 0.73 | — | — | |
| SCHEMBL10884849 | 0.73 | — | — | |
| SCHEMBL11035984 | 0.73 | — | — | |
| SCHEMBL27527601 | 0.72 | CYP3A4 (0.45) | — | |
| SCHEMBL58209 | 0.72 | — | — | |
| SCHEMBL6698220 | 0.70 | CYP3A4 (0.50) | — | |
| Hydrochloric Acid SCHEMBL29140292 | 0.69 | — | — | |
| SCHEMBL11549000 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861864-B1 | Method of preparation of polyquinolines | HITACHI CHEMICAL CO LTD (JP) | 2004-08-25 | — | — | EP | disclosed |
| EP-0861864-A2 | Method of preparation of polyquinolines | HITACHI CHEMICAL CO., LTD. (JP) | 1998-09-02 | — | — | EP | disclosed |
| US-5786071-A | Method of preparation of polyquinolines | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| US-5723573-A | ACETYLENIC END GROUPS | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1998-03-03 | — | — | US | disclosed |
| US-5648448-A | Method of preparation of polyquinolines | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1997-07-15 | — | — | US | disclosed |