⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6364629 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL10597506 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL11542413 | 0.82 | PTPN7 (0.42) | — | |
| SCHEMBL15448398 | 0.78 | HSD17B10 (0.33) | — | |
| SCHEMBL1787121 | 0.77 | — | — | |
| SCHEMBL5167647 | 0.74 | — | — | |
| SCHEMBL55369 | 0.74 | — | — | |
| SCHEMBL11544896 | 0.74 | — | — | |
| SCHEMBL8001485 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL15144949 | 0.72 | HMGCR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5866731-A | CATALYST WHICH IS AN ORGANIC COMPOUND HAVING AT LEAST TWO POLAR GROUPS IN THE MOLECULE EACH CONTAINING A HETEROATOM HAVING AN UNSHARED ELECTRON PAIR, AND HAVING NO ALIPHATIC CARBON-CARBON UNSATURATED BOND. | NIPPON ZEON CO., LTD. (JP) | 1999-02-02 | — | — | US | disclosed |
| EP-0795530-A1 | PROCESS FOR PRODUCING HALOGENATED ORGANIC COMPOUNDS | NIPPON ZEON CO., LTD. (JP) | 1997-09-17 | — | — | EP | disclosed |
| US-4179561-A | REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE | E. R. SQUIBB & SONS, INC. (US) | 1979-12-18 | — | — | US | disclosed |
| US-4112096-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4076818-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-02-28 | — | — | US | disclosed |