⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL2812401 | 1.00 | TRPA1 (0.33) | — | |
| Cyclopentane SCHEMBL5066642 | 1.00 | — | — | |
| Cyclohexane SCHEMBL2319090 | 0.85 | ALDH1A1 (0.31) | — | |
| Cyclohexane SCHEMBL8853219 | 0.82 | — | — | |
| Butadiene SCHEMBL11854764 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL10457929 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL250 | 0.79 | — | — | |
| Butadiene SCHEMBL11480793 | 0.79 | TRPA1 (0.44) | — | |
| Butadiene SCHEMBL461643 | 0.79 | — | — | |
| Butadiene SCHEMBL22470614 | 0.76 | ALDH1A1 (0.57) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20010009967-A1 | Styrene sulfonate cation exchange membrane | UBS AG, STAMFORD BRANCH AS COLLATERAL AGENT | 2001-07-26 | — | — | US | claimed |
| EP-1066331-A1 | STYRENE SULFONATE CATION EXCHANGE MEMBRANE | IONICS INCORPORATED (US) | 2001-01-10 | — | — | EP | claimed |
| WO-1999048940-A1 | STYRENE SULFONATE CATION EXCHANGE MEMBRANE | IONICS, INCORPORATED (US) | 1999-09-30 | — | — | WO | claimed |
| CN-116669713-A | CURCUSONE diterpene and application thereof | 普渡研究基金会 | 2023-08-29 | — | — | CN | disclosed |
| US-9006231-B2 | Cephalotaxus esters, methods of synthesis, and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2015-04-14 | — | — | US | disclosed |
| US-20140171416-A1 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH | 2014-06-19 | — | — | US | disclosed |
| US-8466142-B2 | Cephalotaxus esters, methods of synthesis, and uses thereof | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2013-06-18 | — | — | US | disclosed |
| US-20110071097-A1 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-03-24 | — | — | US | disclosed |
| EP-2260041-A2 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | Sloan Kettering Institute For Cancer Research (US) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009148654-A2 | CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2009-12-10 | — | — | WO | disclosed |