⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11318891 | 0.84 | — | — | |
| SCHEMBL19718384 | 0.84 | — | — | |
| SCHEMBL855235 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL8861489 | 0.81 | ALDH1A1 (0.47) | — | |
| SCHEMBL8113569 | 0.78 | — | — | |
| SCHEMBL8219198 | 0.78 | — | — | |
| SCHEMBL15359360 | 0.78 | — | — | |
| SCHEMBL7009281 | 0.75 | SLC6A3 (0.47) | — | |
| SCHEMBL7099239 | 0.74 | NUDT1 (0.32) | — | |
| SCHEMBL10425781 | 0.74 | NUDT1 (0.35) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2135867-B1 | Trans-9, 10-dehydroepothilone C and trans-9, 10-dehydroepothilone D, analogs thereof and methods of making the same | KOSAN BIOSCIENCES INC (US) | 2013-09-25 | — | — | EP | disclosed |
| EP-2135867-A1 | Trans-9, 10-dehydroepothilone C and trans-9, 10-dehydroepothilone D, analogs thereof and methods of making the same | Kosan Biosciences Incorporated (US) | 2009-12-23 | — | — | EP | disclosed |
| EP-1562941-B1 | TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME | KOSAN BIOSCIENCES INC (US) | 2009-12-23 | — | — | EP | disclosed |
| EP-2135868-A1 | TRANS-9, 10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME | Kosan Biosciences Incorporated (US) | 2009-12-23 | — | — | EP | disclosed |
| US-20090186927-A1 | TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHODS OF MAKING THE SAME | KOSAN BIOSCIENCES, INC. (US) | 2009-07-23 | — | — | US | disclosed |
| EP-1562941-A2 | TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME | Kosan Biosciences, Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| US-20040152708-A1 | Trans-9,10-dehydroepothilone C and D, analogs thereof and methods of making the same | KOSAN BIOSCIENCES, INC. | 2004-08-05 | — | — | US | disclosed |
| WO-2004043954-A2 | TRANS-9,10-DEHYDROEPOTHILONE C AND D, ANALOGS THEREOF AND METHOS OF MAKING THE SAME | KOSAN BIOSCIENCES INCORPORATED (US) | 2004-05-27 | — | — | WO | disclosed |