⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7422171 | 0.90 | GHSR (0.38) | — | |
| SCHEMBL7422523 | 0.89 | MMP13 (0.33) | — | |
| SCHEMBL7420810 | 0.73 | F2 (0.33) | — | |
| SCHEMBL7426894 | 0.66 | F10 (0.44) | — | |
| SCHEMBL7424154 | 0.57 | PARG (0.33) | — | |
| SCHEMBL1069272 | 0.56 | AR (0.40) | — | |
| SCHEMBL8040048 | 0.55 | MEN1 (0.38) | — | |
| SCHEMBL8039196 | 0.54 | OPRM1 (0.34) | — | |
| SCHEMBL8039194 | 0.53 | SSTR4 (0.34) | — | |
| SCHEMBL1779200 | 0.53 | AR (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0894088-A4 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2001-12-05 | — | — | EP | disclosed |
| EP-0894088-A1 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-02-03 | — | — | EP | disclosed |
| WO-1998024784-A1 | SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-06-11 | — | — | WO | disclosed |