⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16322603 | 0.75 | — | — | |
| SCHEMBL26932418 | 0.73 | — | — | |
| SCHEMBL26932419 | 0.59 | — | — | |
| SCHEMBL1480337 | 0.58 | ALDH1A1 (0.30) | — | |
| SCHEMBL11373278 | 0.58 | PTPN1 (0.30) | — | |
| SCHEMBL7103776 | 0.57 | UGT2B7 (0.33) | — | |
| SCHEMBL14103919 | 0.56 | ALDH1A1 (0.37) | — | |
| SCHEMBL5794235 | 0.56 | UGT2B7 (0.31) | — | |
| SCHEMBL8051141 | 0.55 | — | — | |
| SCHEMBL7776081 | 0.54 | — | — |
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-9902920-B2 | Polysiloxanes as fragrance delivery systems in fine perfumery | FIRMENICH SA (CH) | 2018-02-27 | — | — | US | disclosed |
| US-20170335234-A1 | POLYSILOXANES AS FRAGRANCE DELIVERY SYSTEMS IN FINE PERFUMERY | FIRMENICH SA (CH) | 2017-11-23 | — | — | US | disclosed |