⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17865537 | 0.78 | — | — | |
| SCHEMBL2100556 | 0.75 | USP2 (0.30) | — | |
| SCHEMBL18199636 | 0.72 | — | — | |
| SCHEMBL29145208 | 0.71 | USP2 (0.33) | — | |
| SCHEMBL2151357 | 0.71 | KDM4E (0.37) | — | |
| SCHEMBL17865585 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL18712264 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL17865551 | 0.69 | NAAA (0.38) | — | |
| SCHEMBL15565147 | 0.68 | MEN1 (0.30) | — | |
| SCHEMBL29157377 | 0.68 | NLRP3 (0.32) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3037404-B1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHINETSU CHEMICAL CO (JP) | 2018-08-29 | — | — | EP | disclosed |
| US-9688622-B1 | 1-(2-acyloxyethyl)cyclopropyl sulfonate compound, 3-halomethyl-3-butenyl carboxylate compound, and method for producing 4-alkyl-3-methylenebutyl carboxylate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-06-27 | — | — | US | disclosed |
| US-9688622-B1 | 1-(2-acyloxyethyl)cyclopropyl sulfonate compound, 3-halomethyl-3-butenyl carboxylate compound, and method for producing 4-alkyl-3-methylenebutyl carboxylate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-06-27 | — | — | US | disclosed |
| US-20170158626-A1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND, 3-HALOMETHYL-3-BUTENYL CARBOXYLATE COMPOUND, AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHINETSU CHEMICAL CO (JP) | 2017-06-08 | — | — | US | disclosed |
| US-20170158626-A1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND, 3-HALOMETHYL-3-BUTENYL CARBOXYLATE COMPOUND, AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHINETSU CHEMICAL CO (JP) | 2017-06-08 | — | — | US | disclosed |
| US-9611211-B2 | 1-(2-acyloxyethyl)cyclopropyl sulfonate compound, 3-halomethyl-3-butenyl carboxylate compound, and method for producing 4-alkyl-3-methylenebutyl carboxylate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-04-04 | — | — | US | disclosed |
| US-9611211-B2 | 1-(2-acyloxyethyl)cyclopropyl sulfonate compound, 3-halomethyl-3-butenyl carboxylate compound, and method for producing 4-alkyl-3-methylenebutyl carboxylate | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-04-04 | — | — | US | disclosed |
| US-20160185708-A1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND, 3-HALOMETHYL-3-BUTENYL CARBOXYLATE COMPOUND, AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-06-30 | — | — | US | disclosed |
| US-20160185708-A1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND, 3-HALOMETHYL-3-BUTENYL CARBOXYLATE COMPOUND, AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2016-06-30 | — | — | US | disclosed |
| EP-3037404-A1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND, 3-HALOMETHYL-3-BUTENYL CARBOXYLATE COMPOUND, AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-06-29 | — | — | EP | disclosed |
| EP-3037404-A1 | 1-(2-ACYLOXYETHYL)CYCLOPROPYL SULFONATE COMPOUND, 3-HALOMETHYL-3-BUTENYL CARBOXYLATE COMPOUND, AND METHOD FOR PRODUCING 4-ALKYL-3-METHYLENEBUTYL CARBOXYLATE | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-06-29 | — | — | EP | disclosed |
| CN-102356081-B | Bicyclic compounds for the reduction of beta-amyloid production | BRISTOL MYERS SQUIBB CO | 2014-08-27 | — | — | CN | disclosed |
| EP-2379553-B1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL MYERS SQUIBB CO (US) | 2013-06-26 | — | — | EP | disclosed |
| US-8349880-B2 | Bicyclic compounds for the reduction of beta-amyloid production | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-08 | — | — | US | disclosed |
| EP-2379553-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | Bristol-Myers Squibb Company (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20110015175-A1 | Bicyclic Compounds for the Reduction of Beta-Amyloid Production | BRISTOL-MYERS SQUIBB COMPANY | 2011-01-20 | — | — | US | disclosed |
| WO-2010083141-A1 | BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-22 | — | — | WO | disclosed |