⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28040587 | 0.83 | ASIC3 (0.38) | — | |
| SCHEMBL2643200 | 0.79 | — | — | |
| SCHEMBL694797 | 0.77 | — | — | |
| SCHEMBL12844666 | 0.77 | — | — | |
| SCHEMBL2826538 | 0.77 | — | — | |
| SCHEMBL7672646 | 0.77 | — | — | |
| SCHEMBL30808849 | 0.77 | — | — | |
| SCHEMBL511705 | 0.76 | LOXL2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4011953 | 0.76 | POLB (0.52) | — | |
| SCHEMBL29774155 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102639152-B | Manganic chelates and the purposes as contrast agent in nuclear magnetic resonance (MRI) thereof | GE HEALTHCARE A/S (NO) | 2015-11-25 | — | — | CN | disclosed |
| US-6440993-B1 | IL-8 receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2002-08-27 | — | — | US | disclosed |
| EP-1121360-A4 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2002-01-23 | — | — | EP | disclosed |
| EP-1121360-A1 | IL-8 RECEPTOR ANTAGONISTS | SmithKline Beecham Corporation (US) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021963-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-04-20 | — | — | WO | disclosed |
| US-4665073-A | HISTAMINE H2-ANTAGONISTS | ICI AMERICAS INC. (GB) | 1987-05-12 | — | — | US | disclosed |