⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL89011 | 0.97 | — | — | |
| Ethylene Glycol SCHEMBL22551754 | 0.88 | TSHR (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL7033333 | 0.76 | TSHR (0.53) | — | |
| SCHEMBL6270090 | 0.72 | TSHR (0.56) | — | |
| SCHEMBL407915 | 0.72 | — | — | |
| SCHEMBL504194 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL6830624 | 0.72 | — | — | |
| SCHEMBL23492926 | 0.71 | — | — | |
| SCHEMBL3605439 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27473278 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023148138-A1 | COMPOUNDS FOR USE AS HAIR REPAIR AGENTS OR FABRIC REPAIR AGENTS | CLARIANT INTERNATIONAL LTD (CH) | 2023-08-10 | — | — | WO | disclosed |
| WO-2019227191-A1 | PROCESS FOR ISOLATING LIGNINOLYTIC-ENZYME-PRODUCING MICROORGANISMS FROM AGRO-INDUSTRIAL WASTE, PROCESS FOR PRODUCING LIGNIN DERIVATIVES, A COSMETIC HAIR-DYING AGENT AND ENZYMES, A COSMETIC HAIR-STRAIGHTENING AGENT AND A COSMETIC HAIR-DYING COMPOSITION | TEIXEIRA TAGE BIAGGIO ROSA MARIA (BR) | 2019-12-05 | — | — | WO | disclosed |