⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL19371522 | 1.00 | — | — | |
| Propane SCHEMBL11425893 | 1.00 | CA1 (0.60) | — | |
| Butane SCHEMBL5577989 | 0.86 | — | — | |
| Butane SCHEMBL6577949 | 0.86 | CA1 (0.55) | — | |
| Ethylamine SCHEMBL9665512 | 0.82 | — | — | |
| Butane SCHEMBL16053106 | 0.82 | — | — | |
| Alcohol SCHEMBL15229104 | 0.82 | — | — | |
| Thiocyanic Acid SCHEMBL10753687 | 0.82 | — | — | |
| Hexane SCHEMBL19371513 | 0.79 | TSHR (0.50) | — | |
| Alcohol SCHEMBL16279995 | 0.79 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115745983-A | Angiotensin and endothelin receptor antagonist and application thereof | 深圳信立泰药业股份有限公司 | 2023-03-07 | — | — | CN | disclosed |
| WO-2022127753-A1 | FUSED RING AHR INHIBITOR | 山东轩竹医药科技有限公司 | 2022-06-23 | — | — | WO | disclosed |
| WO-2022078356-A1 | HETEROAROMATIC AHR INHIBITOR | 山东轩竹医药科技有限公司 | 2022-04-21 | — | — | WO | disclosed |
| CN-114369097-A | Heteroaromatic AhR inhibitors | 山东轩竹医药科技有限公司 | 2022-04-19 | — | — | CN | disclosed |
| EP-1120435-B1 | APPARATUS AND METHOD FOR PRODUCING RESIN | TEIJIN LTD (JP) | 2004-05-06 | — | — | EP | disclosed |
| US-6562936-B1 | Resin excellent in hydrolysis and heat stability such as a reduction in molecular weight at the time of molding and color retention and moldability such as releasability and transferability, rarely experiences residence deterioration | TEIJIN LIMITED (JP) | 2003-05-13 | — | — | US | disclosed |
| US-6509435-B1 | Heat resistance, stability; moldings | TEIJIN LIMITED (JP) | 2003-01-21 | — | — | US | disclosed |
| EP-1191049-A1 | POLYCARBONATE, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE THEREOF | TEIJIN LIMITED (JP) | 2002-03-27 | — | — | EP | disclosed |
| EP-1120435-A1 | APPARATUS AND METHOD FOR PRODUCING RESIN | TEIJIN LIMITED (JP) | 2001-08-01 | — | — | EP | disclosed |