⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3656237 | 0.90 | MLYCD (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL3660920 | 0.89 | HRH3 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL3654963 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL3652245 | 0.87 | NPC1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL3705581 | 0.87 | KDM4E (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL3656228 | 0.86 | RAB9A (0.46) | — | |
| Trifluoroacetic Acid SCHEMBL3655094 | 0.86 | CYP2C9 (0.49) | — | |
| Trifluoroacetic Acid SCHEMBL3657556 | 0.85 | HSP90AA1 (0.45) | — | |
| SCHEMBL3655153 | 0.85 | NPC1 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL3655804 | 0.85 | CYP1A2 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2212282-A1 | SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF | Sanofi-Aventis (FR) | 2010-08-04 | — | — | EP | disclosed |
| WO-2009052065-A1 | SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2009-04-23 | — | — | WO | disclosed |