⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL459398 | 0.83 | — | — | |
| SCHEMBL11354804 | 0.82 | — | — | |
| SCHEMBL4893775 | 0.81 | MEN1 (0.41) | — | |
| Trimethylammonium SCHEMBL27697320 | 0.80 | — | — | |
| Propane SCHEMBL9577612 | 0.79 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL28474992 | 0.78 | TSHR (0.35) | — | |
| Ethane SCHEMBL11210794 | 0.75 | — | — | |
| SCHEMBL10938 | 0.75 | — | — | |
| SCHEMBL253906 | 0.75 | — | — | |
| SCHEMBL9803971 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11065082-B2 | Treatment method for a service water supply unit | BLUE SAFETY GMBH (DE) | 2021-07-20 | — | — | US | disclosed |
| US-20180296304-A1 | TREATMENT METHOD FOR A SERVICE WATER SUPPLY UNIT | BLUE SAFETY GMBH (DE) | 2018-10-18 | — | — | US | disclosed |
| US-4180084-A | HAIR-CARE, ESPECIALLY SHAMPOO | CIBA-GEIGY CORPORATION (US) | 1979-12-25 | — | — | US | disclosed |