⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2213217 | 0.82 | — | — | |
| SCHEMBL2214133 | 0.79 | — | — | |
| SCHEMBL7208911 | 0.79 | — | — | |
| SCHEMBL3676389 | 0.78 | — | — | |
| SCHEMBL28312809 | 0.76 | CA4 (0.31) | — | |
| SCHEMBL2214989 | 0.76 | — | — | |
| SCHEMBL1532539 | 0.73 | — | — | |
| SCHEMBL9721251 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL36085 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL16267993 | 0.73 | — | — |
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-6045781-A | COMPRISING SILICONE OIL, POLYOXYALKYLENE-ORGANPOLYSILOXANES, WATER, A COMPONENT CHOSEN FROM ALCOHOLS AND/OR POLYOLS AND ULTRAVIOLET RADIATION ABSORBER SOLUBLE IN THE AQUEOUS OR IN THE OILY PHASE | TH. GOLDSCHMIDT AG (DE) | 2000-04-04 | — | — | US | claimed |