⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL9548516 | 0.91 | — | — | |
| SCHEMBL16959 | 0.91 | — | — | |
| SCHEMBL14994799 | 0.91 | TSHR (0.58) | — | |
| SCHEMBL2335211 | 0.91 | TSHR (0.58) | — | |
| Ethylene Glycol SCHEMBL23388166 | 0.87 | TSHR (0.47) | — | |
| Ethylene Glycol SCHEMBL5476239 | 0.87 | — | — | |
| SCHEMBL5899501 | 0.86 | — | — | |
| Water SCHEMBL4796024 | 0.86 | — | — | |
| Methane SCHEMBL25267970 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL137610 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5541284-A | TREATING WITH WATER VAPOR | DEQUSSA AKTIENGESELLSCHAFT (DE) | 1996-07-30 | — | — | US | disclosed |