⚠ 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 | |
|---|---|---|---|---|
| Trichlorethanol SCHEMBL2024850 | 1.00 | — | — | |
| Trichlorethanol SCHEMBL28245853 | 0.95 | LMNA (0.36) | — | |
| Trichlorethanol SCHEMBL1027 | 0.95 | — | — | |
| Trichlorethanol SCHEMBL2902547 | 0.90 | — | — | |
| Trichlorethanol SCHEMBL1065673 | 0.90 | — | — | |
| Trichlorethanol SCHEMBL9192356 | 0.90 | MEN1 (0.33) | — | |
| Trichlorethanol SCHEMBL5185962 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL7734188 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL7654054 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL10369880 | 0.86 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1591531-B1 | PROCESS FOR ACYL-TRANSFER ENZYME REACTIONS WITH ACYL- COENZYME A | SHOWA DENKO KK (JP) | 2016-03-23 | — | — | EP | disclosed |
| US-7943351-B2 | Method for acyltransferase reaction using acyl coenzyme A | SHOWA DENKO K.K. (JP) | 2011-05-17 | — | — | US | disclosed |
| US-20090111153-A1 | METHOD FOR ACYLTRANSFERASE REACTION USING ACYL COENZYME A | SHOWA DENKO K.K. | 2009-04-30 | — | — | US | disclosed |
| US-7476521-B2 | acyl group of acyl coenzyme A is transferred to an acyl group receptor characterized in that the reaction is carried out by production and/or reproduction of acyl coenzyme A from coenzyme A in a reaction system by a chemical thioester exchange reaction with acylthioester | SHOWA DENKO K.K. (JP) | 2009-01-13 | — | — | US | disclosed |
| US-20060148048-A1 | acyl group of acyl coenzyme A is transferred to an acyl group receptor characterized in that the reaction is carried out by production and/or reproduction of acyl coenzyme A from coenzyme A in a reaction system by a chemical thioester exchange reaction with acylthioester | SHOWA DENKO K.K. (JP) | 2006-07-06 | — | — | US | disclosed |
| EP-1591531-A1 | PROCESS FOR ACYL-TRANSFER ENZYME REACTIONS WITH ACYL- COENZYME A | Showa Denko K.K. (JP) | 2005-11-02 | — | — | EP | disclosed |