⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5188239 | 0.88 | CTSK (0.31) | — | |
| SCHEMBL5186531 | 0.87 | LMNA (0.41) | — | |
| SCHEMBL9847820 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL9847901 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL9847790 | 0.73 | HTR2C (0.39) | — | |
| SCHEMBL7705563 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL128911 | 0.73 | TDP1 (0.43) | — | |
| SCHEMBL27952449 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL17878534 | 0.73 | CA1 (0.38) | — | |
| SCHEMBL21239299 | 0.72 | KDM4C (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0952142-B1 | Compounds with protected hydroxy groups | GIVAUDAN SA (CH) | 2006-10-18 | — | — | EP | disclosed |
| US-6627763-B2 | As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents | GIVAUDAN SA | 2003-09-30 | — | — | US | disclosed |
| US-20020193269-A1 | Compounds having protected hydroxy groups | GIVAUDAN SA, A SWITZERLAND CORPORATION | 2002-12-19 | — | — | US | disclosed |
| US-6479682-B1 | Compounds having protected hydroxy groups | GIVAUDAN SA (CH) | 2002-11-12 | — | — | US | disclosed |
| US-6437150-B1 | WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS | GIVAUDAN SA (CH) | 2002-08-20 | — | — | US | disclosed |
| EP-0952142-A1 | Compounds with protected hydroxy groups | Givaudan Roure (International) S.A. (CH) | 1999-10-27 | — | — | EP | disclosed |