⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8014596 | 0.76 | — | — | |
| SCHEMBL28034465 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL3029898 | 0.74 | — | — | |
| SCHEMBL3043025 | 0.73 | — | — | |
| SCHEMBL17775084 | 0.72 | — | — | |
| SCHEMBL4033787 | 0.72 | — | — | |
| SCHEMBL20485768 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL21518266 | 0.71 | CA1 (0.36) | — | |
| SCHEMBL25812 | 0.71 | — | — | |
| SCHEMBL3029527 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030083497-A1 | Taxoids, their preparation and pharmaceutical compositions containing them | AVENTIS PHARMA, S.A. | 2003-05-01 | — | — | US | disclosed |
| US-6384071-B2 | ANTITUMOR AGENTS | AVENTIS PHARMA, S.A. (FR) | 2002-05-07 | — | — | US | disclosed |
| US-20010021783-A1 | New taxoids, their preparation and pharmaceutical compositions containing them | Rhône-Poulenc Rorer S.A. | 2001-09-13 | — | — | US | disclosed |
| US-6194582-B1 | MULTI-DRUG RESISTANCE | RHONE-POULENC RORER S.A. (FR) | 2001-02-27 | — | — | US | disclosed |
| US-6117822-A | AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS | BASF AKTIENGESELLSCHAFT (DE) | 2000-09-12 | — | — | US | disclosed |
| EP-0788479-B1 | SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT | BASF AG (DE) | 2000-04-19 | — | — | EP | disclosed |
| EP-0939078-A2 | Substituted phthalimido-cinnamic acid derivatives with herbicidal activity | BASF AKTIENGESELLSCHAFT (DE) | 1999-09-01 | — | — | EP | disclosed |
| US-5814658-A | Taxoids, their preparation and pharmaceutical compositions containing them | RHONE-POULENC RORER S.A. (FR) | 1998-09-29 | — | — | US | disclosed |
| US-5807807-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| US-5707937-A | AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS | BASF AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |
| WO-1996014298-A1 | SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT | BASF AKTIENGESELLSCHAFT (DE) | 1996-05-17 | — | — | WO | disclosed |