⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15684640 | 1.00 | — | — | |
| SCHEMBL18569751 | 1.00 | — | — | |
| SCHEMBL11936608 | 1.00 | — | — | |
| SCHEMBL16691423 | 1.00 | — | — | |
| SCHEMBL256974 | 1.00 | — | — | |
| SCHEMBL762678 | 0.83 | — | — | |
| SCHEMBL18607043 | 0.83 | — | — | |
| SCHEMBL24456477 | 0.81 | — | — | |
| SCHEMBL679645 | 0.81 | — | — | |
| SCHEMBL20036944 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240229091-A1 | KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (R)-3-HYDROXYTHIOLANE | CODEXIS INC (US) | 2024-07-11 | — | — | US | disclosed |
| US-20180187223-A1 | KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (R)-3-HYDROXYTHIOLANE | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2018-07-05 | — | — | US | disclosed |
| US-9932615-B2 | Ketoreductase polypeptides for the production of (R)-3-hydroxythiolane | CODEXIS, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-20160289717-A1 | KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (R)-3-HYDROXYTHIOLANE | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2016-10-06 | — | — | US | disclosed |
| US-9394552-B2 | Ketoreductase polypeptides for the production of (R)-3-hydroxythiolane | CODEXIS, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-8962285-B2 | Ketoreductase polypeptides for the production of (R)-3-hydroxythiolane | CODEXIS, INC. (US) | 2015-02-24 | — | — | US | disclosed |
| US-20120276599-A1 | KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (R)-3-HYDROXYTHIOLANE | PFIZER, INC. (US) | 2012-11-01 | — | — | US | disclosed |
| US-8227229-B2 | Ketoreductase polypeptides for the production of (R)-3-hydroxythiolane | CODEXIS, INC. (US) | 2012-07-24 | — | — | US | disclosed |
| US-20110217754-A1 | KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (R)-3-HYDROXYTHIOLANE | CODEXIS, INC. (US) | 2011-09-08 | — | — | US | disclosed |