⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6850521 | 0.76 | ALDH1A1 (0.61) | — | |
| SCHEMBL40660 | 0.76 | ALDH1A1 (0.61) | — | |
| Bicarbonate SCHEMBL9574151 | 0.75 | ALDH1A1 (0.88) | — | |
| SCHEMBL29253569 | 0.75 | — | — | |
| Bicarbonate SCHEMBL175210 | 0.74 | ALDH1A1 (0.50) | — | |
| Formaldehyde SCHEMBL27890389 | 0.74 | ALDH1A1 (0.59) | — | |
| SCHEMBL8295 | 0.73 | — | — | |
| SCHEMBL6950834 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL375516 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL8970989 | 0.73 | ALDH1A1 (0.58) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220144747-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2022-05-12 | — | — | US | claimed |
| US-20200031791-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2020-01-30 | — | — | US | claimed |
| US-20190038579-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2019-02-07 | — | — | US | claimed |
| EP-3416635-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | The Board of Regents of the University of Oklahoma (US) | 2018-12-26 | — | — | EP | claimed |
| WO-2017142866-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) | 2017-08-24 | — | — | WO | claimed |
| US-20220144747-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2022-05-12 | — | — | US | disclosed |
| US-20200031791-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2020-01-30 | — | — | US | disclosed |
| US-20190038579-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA | 2019-02-07 | — | — | US | disclosed |
| EP-3416635-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | The Board of Regents of the University of Oklahoma (US) | 2018-12-26 | — | — | EP | disclosed |
| WO-2017142866-A1 | SHIKIMATE ANALOGUES AND METHODS OF USE | THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) | 2017-08-24 | — | — | WO | disclosed |
| US-20040097728-A1 | Method for producing anellated tetrahydro-{1h}-triazoles | BASF AKTIENGESELLSCHAFT (DE) | 2004-05-20 | — | — | US | disclosed |