⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7610492 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL18048549 | 0.76 | MMP2 (0.37) | — | |
| SCHEMBL7139196 | 0.76 | DPP4 (0.47) | — | |
| SCHEMBL18048550 | 0.76 | MMP2 (0.37) | — | |
| SCHEMBL8217798 | 0.73 | CTSD (0.31) | — | |
| SCHEMBL10296077 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL13050548 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL12733457 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL17305534 | 0.71 | ALDH1A1 (0.56) | — | |
| SCHEMBL19750966 | 0.71 | ALDH1A1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6632795-B1 | Treatment of cancer | BASF AKTIENGESELLSCHAFT (DE) | 2003-10-14 | — | — | US | claimed |
| EP-0981358-B1 | DOLASTATIN-15 DERIVATIVES IN COMBINATION WITH TAXANES | BASF AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6103698-A | USEFUL IN TREATING CANCER IN A MAMMAL; IN COMBINATION WITH PACLITAXEL AND TAXOTERE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | claimed |
| US-6015790-A | Methods and compositions for treating rheumatoid arthritis | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-18 | — | — | US | claimed |