⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3208607 | 0.77 | — | — | |
| SCHEMBL11542158 | 0.70 | TLR4 (0.31) | — | |
| SCHEMBL17991838 | 0.69 | TLR4 (0.30) | — | |
| SCHEMBL9129871 | 0.63 | — | — | |
| SCHEMBL2905593 | 0.63 | CA1 (0.43) | — | |
| SCHEMBL2905596 | 0.63 | CA1 (0.43) | — | |
| SCHEMBL661313 | 0.62 | — | — | |
| SCHEMBL19499989 | 0.62 | CA1 (0.41) | — | |
| SCHEMBL716501 | 0.62 | — | — | |
| SCHEMBL768641 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6096704-A | SHORT HALF-LIFE FRAGRANCE COMPOUND HAVING BEEN ACETALIZED OR KETALIZED WITH ALIPHATIC ALCOHOL OR ALKYLENE OXIDE ADDUCT/POLYETHER; LAUNDRY DETERGENT PERFUMES | PROCTER & GAMBLE COMPANY, THE | 2000-08-01 | — | — | US | claimed |
| CN-106999374-B | Perfume composition | 奇华顿股份有限公司 | 2021-05-28 | — | — | CN | disclosed |