⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2651303 | 1.00 | — | — | |
| SCHEMBL13701367 | 1.00 | — | — | |
| SCHEMBL2572653 | 0.97 | TOP1 (0.38) | — | |
| SCHEMBL2572652 | 0.97 | TOP1 (0.38) | — | |
| SCHEMBL7284959 | 0.85 | F7 (0.52) | — | |
| SCHEMBL17322184 | 0.85 | F7 (0.52) | — | |
| SCHEMBL11857550 | 0.83 | FAAH (0.55) | — | |
| SCHEMBL6641866 | 0.83 | FAAH (0.55) | — | |
| SCHEMBL12572575 | 0.83 | ALDH1A1 (0.47) | — | |
| SCHEMBL18868445 | 0.83 | ALDH1A1 (0.47) | — |
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-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-116103086-A | Tea flavor imparting composition | 长谷川香料株式会社 | 2023-05-12 | — | — | CN | disclosed |
| CN-116098279-A | Matcha flavor imparting composition | 长谷川香料株式会社 | 2023-05-12 | — | — | CN | disclosed |
| US-11332694-B2 | Pyrrole compound, method of making same, and aroma composition, food, drink and cosmetics containing same | T. HASEGAWA CO., LTD. (JP) | 2022-05-17 | — | — | US | disclosed |
| US-20200157463-A1 | PYRROLE COMPOUND, AROMA COMPOSITION, AND FOOD AND DRINK AND COSMETICS CONTAINING THE SAME | T. HASEGAWA CO., LTD. (JP) | 2020-05-21 | — | — | US | disclosed |
| CN-110869348-A | Pyrrole compound, perfume composition, and food, drink and cosmetic containing same | 长谷川香料株式会社 | 2020-03-06 | — | — | CN | disclosed |
| EP-0751146-B1 | Crystallization of alpha-L-aspartyl-L-phenylalanine methyl ester from aqueous solution | HOLLAND SWEETENER CO (NL) | 2002-03-13 | — | — | EP | disclosed |
| US-5733883-A | CONDUCTIVE COOLING IN AQUEOUS SOLUTION IN THE PRESENCE OF A KETONE AND AVOIDANCE OF TURBULENCE | HOLLAND SWEETENER COMPANY V.O.F. (NL) | 1998-03-31 | — | — | US | disclosed |
| EP-0751146-A1 | Crystallization of alpha-L-aspartyl-l-phenylalanine methyl ester from aqueous solution | HOLLAND SWEETENER COMPANY V.O.F. (NL) | 1997-01-02 | — | — | EP | disclosed |