⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7298871 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL28038365 | 0.88 | ALDH1A1 (0.45) | — | |
| SCHEMBL873098 | 0.88 | ALDH1A1 (0.45) | — | |
| SCHEMBL8332555 | 0.86 | ALDH1A1 (0.50) | — | |
| SCHEMBL7287217 | 0.86 | ALDH1A1 (0.50) | — | |
| SCHEMBL6473112 | 0.86 | ALDH1A1 (0.50) | — | |
| SCHEMBL17416905 | 0.85 | ALDH1A1 (0.55) | — | |
| SCHEMBL17416904 | 0.85 | ALDH1A1 (0.55) | — | |
| SCHEMBL17416903 | 0.85 | ALDH1A1 (0.55) | — | |
| SCHEMBL18118953 | 0.83 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1264789-C | Isomerization of allyl alcohols | BASF AG (DE) | 2006-07-19 | — | — | CN | claimed |
| CN-117580937-A | Composition comprising spores and pro-fragrance material | 宝洁公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-110869348-B | Pyrrole compound, perfume composition, and cosmetic containing the same | 长谷川香料株式会社 | 2023-09-12 | — | — | CN | disclosed |
| CN-116098279-A | Matcha flavor imparting composition | 长谷川香料株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-116103086-A | Tea flavor imparting composition | 长谷川香料株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-1264789-C | Isomerization of allyl alcohols | BASF AG (DE) | 2006-07-19 | — | — | CN | disclosed |
| CN-1599706-A | Method for isomerizing allyl alcohols | BASF AG (DE) | 2005-03-23 | — | — | CN | disclosed |
| US-5652247-A | VASOPRESSIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 1997-07-29 | — | — | US | disclosed |
| US-5436254-A | Vaopressin antagonists | OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) | 1995-07-25 | — | — | US | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| EP-0382185-B1 | Carbostyril derivatives | OTSUKA PHARMA CO LTD (JP) | 1994-06-15 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| US-5225402-A | Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-06 | — | — | US | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |