⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9405441 | 0.76 | — | — | |
| SCHEMBL3022168 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL208858 | 0.55 | — | — | |
| SCHEMBL19820931 | 0.54 | DRD1 (0.50) | — | |
| SCHEMBL13932188 | 0.53 | — | — | |
| SCHEMBL4272726 | 0.52 | AVPR1A (0.41) | — | |
| SCHEMBL8030062 | 0.52 | MAOA (0.43) | — | |
| SCHEMBL10092844 | 0.52 | — | — | |
| SCHEMBL4860332 | 0.52 | TSHR (0.53) | — | |
| SCHEMBL7334563 | 0.52 | TSHR (0.53) | — |
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-4684658-A | Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor | RHONE-POULENC SANTE (FR) | 1987-08-04 | — | — | US | claimed |
| US-6194426-B1 | CONTROLLING TUMOR NECROSIS FACTOR | RHONA-POULENC RORER S.A. (FR) | 2001-02-27 | — | — | US | disclosed |
| US-4684658-A | Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor | RHONE-POULENC SANTE (FR) | 1987-08-04 | — | — | US | disclosed |
| US-4684658-A | Anti-thrombotic ortho-condensed pyrrole derivatives, compositions, and method of use therefor | RHONE-POULENC SANTE (FR) | 1987-08-04 | — | — | US | disclosed |