⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5995142 | 1.00 | — | — | |
| SCHEMBL27460745 | 1.00 | — | — | |
| SCHEMBL1107430 | 0.73 | — | — | |
| SCHEMBL10247442 | 0.73 | — | — | |
| SCHEMBL9262091 | 0.72 | — | — | |
| SCHEMBL6811233 | 0.72 | — | — | |
| SCHEMBL12333167 | 0.71 | — | — | |
| SCHEMBL3446831 | 0.71 | — | — | |
| SCHEMBL12922184 | 0.70 | NOS2 (0.41) | — | |
| SCHEMBL2097218 | 0.70 | — | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE41895-E1 | [1S-[1R*,3R*(E),7R*,10S*,11R*,12R*,16S*]]-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,13,17-trioxabicyclo [14.1.0]heptadecane-5,9-dione; treating breast cancer, ovarian cancer, colon cancer, head and neck cancer, lung cancer, gynecological cancers, brain cancer | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-26 | — | — | US | claimed |
| US-RE41893-E1 | Epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-26 | — | — | US | claimed |
| US-7125899-B2 | Epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-10-24 | — | — | US | claimed |
| US-6831090-B2 | 2,3-olefinic epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-14 | — | — | US | claimed |
| US-20030060623-A1 | 2,3-Olefinic epothilone derivatives | BRISTOL-MYERS SQUIBB CO. | 2003-03-27 | — | — | US | claimed |
| EP-1073654-A4 | 2,3-OLEFINIC EPOTHILONE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2003-01-02 | — | — | EP | claimed |
| US-6498257-B1 | 2,3-olefinic epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY | 2002-12-24 | — | — | US | claimed |
| EP-1073654-A1 | 2,3-OLEFINIC EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-02-07 | — | — | EP | claimed |
| WO-1999054330-A1 | 2,3-OLEFINIC EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-10-28 | — | — | WO | claimed |
| EP-1589017-B1 | 12,13-Modified epothilone derivatives | BRISTOL MYERS SQUIBB CO (US) | 2012-12-05 | — | — | EP | disclosed |
| EP-1073648-B1 | 12,13-MODIFIED EPOTHILONE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2006-09-20 | — | — | EP | disclosed |
| EP-1589017-A2 | 12,13-modified epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-26 | — | — | EP | disclosed |
| EP-1392664-A4 | EPOTHILONE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2005-01-26 | — | — | EP | disclosed |
| US-6831090-B2 | 2,3-olefinic epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-14 | — | — | US | disclosed |
| US-6399638-B1 | ANTICARCINOGENIC AGENTS; MICROTUBULE STABILIZING EFFECTS | BRISTOL-MYERS SQUIBB COMPANY | 2002-06-04 | — | — | US | disclosed |
| US-20020052028-A1 | Bio-intermediates for use in the chemical synthesis of polyketides | KOSAN BIOSCIENCES, INC. | 2002-05-02 | — | — | US | disclosed |
| EP-1073648-A1 | 12,13-Modified epothilone derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-02-07 | — | — | EP | disclosed |
| EP-1073654-A1 | 2,3-OLEFINIC EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054319-A1 | 12,13-MODIFIED EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-10-28 | — | — | WO | disclosed |
| WO-1999054330-A1 | 2,3-OLEFINIC EPOTHILONE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-10-28 | — | — | WO | disclosed |