⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL296429 | 0.69 | — | — | |
| SCHEMBL2183890 | 0.67 | — | — | |
| SCHEMBL6672111 | 0.59 | — | — | |
| SCHEMBL1066236 | 0.59 | ALDH1A1 (0.36) | — | |
| Isobutane SCHEMBL8508195 | 0.57 | — | — | |
| SCHEMBL4492333 | 0.56 | — | — | |
| SCHEMBL10632026 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL12927500 | 0.56 | HSD17B10 (0.33) | — | |
| SCHEMBL12927463 | 0.56 | HSD17B10 (0.33) | — | |
| SCHEMBL12927499 | 0.56 | HSD17B10 (0.33) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425407-A4 | ENZYMATIC RESOLUTION OF T-BUTYL TAXANE DERIVATIVES | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | EP | disclosed |
| US-7063977-B2 | Enzymatic resolution of t-butyl taxane derivatives | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-06-20 | — | — | US | disclosed |
| US-20050250844-A1 | Methods of treating cancer using C-4 carbonate taxanes | BRISTOL-MYERS SQUIBB COMPANY | 2005-11-10 | — | — | US | disclosed |
| US-6916942-B2 | Process for the preparation of C-4 carbonate taxanes | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-07-12 | — | — | US | disclosed |
| EP-1263749-B1 | TAXANE ANTICANCER AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2005-06-22 | — | — | EP | disclosed |
| US-20040225009-A1 | Process for the preparation of C-4 carbonate taxanes | BRISTOL-MYERS SQUIBB COMPANY | 2004-11-11 | — | — | US | disclosed |
| EP-1251846-B1 | C-4 CARBONATE TAXANES | BRISTOL MYERS SQUIBB CO (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6750246-B1 | NOVEL ORALLY ACTIVE PACLITAXEL DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-15 | — | — | US | disclosed |
| EP-1425407-A2 | ENZYMATIC RESOLUTION OF T-BUTYL TAXANE DERIVATIVES | Bristol-Myers Squibb Company (US) | 2004-06-09 | — | — | EP | disclosed |
| EP-1263749-A4 | TAXANE ANTICANCER AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2003-06-18 | — | — | EP | disclosed |
| US-20030069415-A1 | Enzymatic resolution of t-butyl taxane derivatives | BRISTON-MYERS SQUIBB COMPANY | 2003-04-10 | — | — | US | disclosed |
| EP-1251846-A4 | C-4 CARBONATE TAXANES | BRISTOL MYERS SQUIBB CO (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2003016543-A2 | ENZYMATIC RESOLUTION OF T-BUTYL TAXANE DERIVATIVES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-02-27 | — | — | WO | disclosed |
| EP-1263749-A1 | TAXANE ANTICANCER AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-1251846-A1 | C-4 CARBONATE TAXANES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-10-30 | — | — | EP | disclosed |
| US-6362217-B2 | ANTITUMOR AGENTS | BRISTOL-MYERS SQUIBB COMPANY | 2002-03-26 | — | — | US | disclosed |
| US-20020016356-A1 | Taxane anticancer agents | BRISTOL-MYERS SQUIBB COMPANY | 2002-02-07 | — | — | US | disclosed |
| WO-2001070718-A1 | TAXANE ANTICANCER AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-09-27 | — | — | WO | disclosed |
| WO-2001056565-A1 | C-4 CARBONATE TAXANES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |