⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9660551 | 0.86 | — | — | |
| SCHEMBL1116394 | 0.86 | — | — | |
| SCHEMBL2617060 | 0.86 | — | — | |
| SCHEMBL15383931 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL27541668 | 0.84 | ALDH1A1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL27491495 | 0.82 | CXCR4 (0.34) | — | |
| SCHEMBL27516117 | 0.81 | NCF1 (0.30) | — | |
| SCHEMBL27500012 | 0.81 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL25619769 | 0.73 | SIGMAR1 (0.33) | — | |
| SCHEMBL27492396 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4508413-B2 | — | — | 2010-07-21 | — | — | JP | claimed |
| US-20060270606-A1 | Dolastatin 15 derivatives | ABBOTT GMBH & CO., KG (DE) | 2006-11-30 | — | — | US | claimed |
| EP-0991658-B1 | DOLASTATIN 15 DERIVATIVES | ABBOTT GMBH & CO KG (DE) | 2005-12-28 | — | — | EP | claimed |
| US-20030153505-A1 | Dolastatin 15 derivatives | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-14 | — | — | US | claimed |
| US-6143721-A | FOR TREATING CANCER IN MAMMALS | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-07 | — | — | US | claimed |
| EP-0991658-A1 | DOLASTATIN 15 DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-04-12 | — | — | EP | claimed |
| WO-1999003879-A1 | DOLASTATIN 15 DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-28 | — | — | WO | claimed |
| CN-101665509-A | 4 pos-1H-1,2,3-triazole-beta-lactam derivative and preparation method thereof | UNIV ZHEJIANG | 2010-03-10 | — | — | CN | disclosed |
| CN-101665508-A | Preparation method of 4-1H-1,2,3-triazole-beta-lactam derivative | UNIV ZHEJIANG | 2010-03-10 | — | — | CN | disclosed |