⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1785613 | 1.00 | — | — | |
| SCHEMBL15201235 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL3642589 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL1782405 | 0.79 | — | — | |
| SCHEMBL1782404 | 0.79 | — | — | |
| SCHEMBL1781481 | 0.75 | CES1 (0.39) | — | |
| SCHEMBL1781480 | 0.75 | CES1 (0.39) | — | |
| SCHEMBL379620 | 0.74 | KMT2A (0.36) | — | |
| SCHEMBL13742862 | 0.74 | — | — | |
| SCHEMBL1304411 | 0.74 | KMT2A (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8632792-B2 | Cooling sensation agent composition and sensory stimulation agent composition | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2014-01-21 | — | — | US | disclosed |
| US-20110117147-A1 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2011-05-19 | — | — | US | disclosed |
| WO-2009123355-A2 | COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2009-10-08 | — | — | WO | disclosed |
| EP-0705812-B1 | Method for producing cyclopentadienes | NIPPON PETROCHEMICALS CO LTD (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5723708-A | REACTING ALDEHYDES AND KETONES ON THE PRESENCE OF ACID CATALYSTS OR BASIC CATALYSTS FOR ALDOL REACTION AND CYCLODEHYDRATION | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1998-03-03 | — | — | US | disclosed |
| EP-0705812-A1 | Method for producing cyclopentadienes | NIPPON PETROCHEMICALS CO., LTD. (JP) | 1996-04-10 | — | — | EP | disclosed |
| US-4421935-A | Process for the preparation of bicyclo [2.2.] heptene derivatives | SHELL OIL COMPANY (US) | 1983-12-20 | — | — | US | disclosed |