⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24077392 | 0.79 | — | — | |
| SCHEMBL19122159 | 0.60 | — | — | |
| SCHEMBL7485866 | 0.60 | — | — | |
| SCHEMBL6065638 | 0.59 | NFKB1 (0.38) | — | |
| SCHEMBL23913519 | 0.59 | — | — | |
| SCHEMBL1053076 | 0.58 | — | — | |
| SCHEMBL1053075 | 0.58 | — | — | |
| SCHEMBL23252480 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL23466839 | 0.57 | — | — | |
| SCHEMBL24633930 | 0.57 | — | — |
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-1291012-A1 | Cosmetic complex based on malic acid | Haarmann & Reimer S.A. (FR) | 2003-03-12 | — | — | EP | disclosed |
| EP-1177185-A1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.p.A. (IT) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000069846-A1 | 4,5,6,7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA & UPJOHN S.P.A. (IT) | 2000-11-23 | — | — | WO | disclosed |