⚠ 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 SCHEMBL27877929 | 0.97 | — | — | |
| SCHEMBL10779962 | 0.76 | — | — | |
| SCHEMBL7749 | 0.76 | — | — | |
| SCHEMBL3653013 | 0.73 | — | — | |
| SCHEMBL1001261 | 0.73 | — | — | |
| SCHEMBL27719960 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL29259288 | 0.72 | — | — | |
| SCHEMBL28248027 | 0.72 | — | — | |
| SCHEMBL83544 | 0.69 | — | — | |
| SCHEMBL1483256 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101953755-B | Hair springiness and stiffness improving agent and hair cosmetic | SHISEIDO CO LTD | 2012-03-28 | — | — | CN | disclosed |
| CN-101835771-A | Aminobenzyl-substituted cyclic sulfones useful as bace inhibitors | NOVARTIS AG | 2010-09-15 | — | — | CN | disclosed |
| CN-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |
| CN-1291099-A | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-04-11 | — | — | CN | disclosed |
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |
| WO-1998037078-A1 | SOLID PHASE AND COMBINATORIAL SYNTHESIS OF SUBSTITUTED THIOPHENES AND OF ARRAYS OF SUBSTITUTED THIOPHENES | NOVO NORDISK A/S (DK) | 1998-08-27 | — | — | WO | disclosed |
| US-4199572-A | DERIVATIVES OF SISOMICINS | BAYER AKTIENGESELLSCHAFT (DE) | 1980-04-22 | — | — | US | disclosed |