⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL79020 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL3149589 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL239122 | 0.80 | CYP2A6 (0.37) | — | |
| SCHEMBL7139286 | 0.78 | ALDH1A1 (0.41) | — | |
| SCHEMBL9418157 | 0.78 | ESR1 (0.47) | — | |
| SCHEMBL28957329 | 0.78 | CYP1A2 (0.41) | — | |
| SCHEMBL321122 | 0.78 | TDP1 (0.39) | — | |
| SCHEMBL8359885 | 0.78 | MEN1 (0.42) | — | |
| SCHEMBL8325832 | 0.78 | CYP1A2 (0.39) | — | |
| SCHEMBL21385244 | 0.78 | TSHR (0.39) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4132715-A | ISOMERIZATION OF AN ISOIMIDE | CIBA-GEIGY CORPORATION (US) | 1979-01-02 | — | — | US | claimed |
| EP-3406616-B1 | NOVEL ISOCYANIDE COMPOUND AND HYDROSILYLATION REACTION CATALYST | SHINETSU CHEMICAL CO (JP) | 2022-06-29 | — | — | EP | disclosed |
| US-10829504-B2 | Isocyanide compound and hydrosilylation reaction catalyst | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-11-10 | — | — | US | disclosed |
| US-20200165274-A1 | NOVEL ISOCYANIDE COMPOUND AND HYDROSILYLATION REACTION CATALYST | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2020-05-28 | — | — | US | disclosed |
| EP-3406616-A1 | NOVEL ISOCYANIDE COMPOUND AND HYDROSILYLATION REACTION CATALYST | Shin-Etsu Chemical Co., Ltd. (JP) | 2018-11-28 | — | — | EP | disclosed |
| US-10005797-B2 | Hydrosilylation reaction catalyst | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2018-06-26 | — | — | US | disclosed |
| US-10000515-B2 | Hydrosilylation reaction catalyst | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2018-06-19 | — | — | US | disclosed |
| US-20170260215-A1 | HYDROSILYLATION REACTION CATALYST | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2017-09-14 | — | — | US | disclosed |
| US-20170233417-A1 | HYDROSILYLATION REACTION CATALYST | KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) | 2017-08-17 | — | — | US | disclosed |
| EP-3195932-A1 | HYDROSILYLATION REACTION CATALYST | Kyushu University, National University Corporation (JP) | 2017-07-26 | — | — | EP | disclosed |
| EP-3181226-A1 | HYDROSILYLATION REACTION CATALYST | Kyushu University, National University Corporation (JP) | 2017-06-21 | — | — | EP | disclosed |
| EP-1362073-A2 | PROCESS TO ENHANCE POLYURETHANE FOAM PERFORMANCE | Crompton Corporation (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002066531-A2 | PROCESS TO ENHANCE POLYURETHANE FOAM PERFORMANCE | CROMPTON CORPORATION (US) | 2002-08-29 | — | — | WO | disclosed |