⚠ 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL6367258 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL1481179 | 0.63 | — | — | |
| SCHEMBL10681974 | 0.58 | SIGMAR1 (0.36) | — | |
| SCHEMBL1479063 | 0.53 | — | — | |
| Bicarbonate SCHEMBL7288551 | 0.48 | CA1 (0.31) | — | |
| SCHEMBL1158061 | 0.46 | ALDH1A1 (0.47) | — | |
| SCHEMBL27199 | 0.45 | — | — | |
| SCHEMBL27884224 | 0.43 | — | — | |
| SCHEMBL28329938 | 0.43 | — | — | |
| SCHEMBL1178820 | 0.43 | TSHR (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4326064-A | CORONARODILATING ACTIVITY | VIGANTE BRIGITA A | 1982-04-20 | — | — | US | claimed |
| US-4252956-A | CORONARY ARTERY DILATORS | VIGANTE BRIGITA A | 1981-02-24 | — | — | US | claimed |
| US-4326064-A | CORONARODILATING ACTIVITY | VIGANTE BRIGITA A | 1982-04-20 | — | — | US | disclosed |
| US-4326064-A | CORONARODILATING ACTIVITY | VIGANTE BRIGITA A | 1982-04-20 | — | — | US | disclosed |
| US-4326064-A | CORONARODILATING ACTIVITY | VIGANTE BRIGITA A | 1982-04-20 | — | — | US | disclosed |
| US-4252956-A | CORONARY ARTERY DILATORS | VIGANTE BRIGITA A | 1981-02-24 | — | — | US | disclosed |
| US-4252956-A | CORONARY ARTERY DILATORS | VIGANTE BRIGITA A | 1981-02-24 | — | — | US | disclosed |
| US-4252956-A | CORONARY ARTERY DILATORS | VIGANTE BRIGITA A | 1981-02-24 | — | — | US | disclosed |