⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2211339 | 0.69 | — | — | |
| SCHEMBL235304 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL2187547 | 0.65 | — | — | |
| SCHEMBL17201496 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL8064324 | 0.64 | TSHR (0.41) | — | |
| SCHEMBL13610 | 0.64 | — | — | |
| SCHEMBL670675 | 0.62 | — | — | |
| SCHEMBL4779247 | 0.62 | — | — | |
| Phosphonic Acid SCHEMBL2172715 | 0.62 | — | — | |
| SCHEMBL175498 | 0.62 | ABCC4 (0.34) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1747209-A4 | A FACILE METHOD FOR SYNTHESIZING BACCATIN III COMPOUNDS | IMMUNOGEN INC (US) | 2007-12-12 | — | — | EP | disclosed |
| US-7186851-B2 | Facile method for synthesizing baccatin III compounds | IMMUNOGEN, INC. (US) | 2007-03-06 | — | — | US | disclosed |
| EP-1747209-A1 | A FACILE METHOD FOR SYNTHESIZING BACCATIN III COMPOUNDS | Immunogen, Inc. (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2005113528-A1 | A FACILE METHOD FOR SYNTHESIZING BACCATIN III COMPOUNDS | IMMUNOGEN, INC. (US) | 2005-12-01 | — | — | WO | disclosed |
| US-20050256323-A1 | Facile method for synthesizing baccatin III compounds | IMMUNOGEN, INC. | 2005-11-17 | — | — | US | disclosed |