⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9968797 | 1.00 | — | — | |
| SCHEMBL17532630 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL21433096 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL21433095 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL17511103 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL17511074 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL17511075 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL17511068 | 0.93 | TSHR (0.40) | — | |
| SCHEMBL21433098 | 0.93 | TSHR (0.40) | — | |
| SCHEMBL21433097 | 0.93 | TSHR (0.40) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874209-A | Oxadiazole transient receptor potential channel inhibitors | 豪夫迈·罗氏有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-110461838-B | Oxadiazole transient receptor potential channel inhibitors | 豪夫迈·罗氏有限公司 | 2022-05-06 | — | — | CN | disclosed |
| EP-3768668-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | Relay Therapeutics, Inc. (US) | 2021-01-27 | — | — | EP | disclosed |
| WO-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |
| WO-2016028892-A1 | PERFUME COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS | BEDOUKIAN RESEARCH, INC. (US) | 2016-02-25 | — | — | WO | disclosed |