⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11071926 | 0.82 | CHRM1 (0.39) | — | |
| SCHEMBL9494995 | 0.80 | — | — | |
| SCHEMBL9497220 | 0.80 | — | — | |
| SCHEMBL10941046 | 0.80 | OR51E2 (0.38) | — | |
| SCHEMBL70684 | 0.80 | — | — | |
| SCHEMBL27612836 | 0.79 | ALOX15 (0.32) | — | |
| SCHEMBL7569291 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL5414488 | 0.77 | CA2 (0.32) | — | |
| SCHEMBL19420086 | 0.75 | — | — | |
| SCHEMBL6594464 | 0.75 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6387923-B2 | ANTIPROLIFERATIVE AGENTS; ANTICANCER AGENTS | BIOCRYST PHARMACUETICALS, INC. | 2002-05-14 | — | — | US | disclosed |
| US-20010053784-A1 | Imminoribitol PNP inhibitors, preparation thereof and use thereof | BIOCRYST PHARMACEUTICALS, INC (US) | 2001-12-20 | — | — | US | disclosed |
| EP-0738713-B1 | Process for the preparation of pesticidal 1-(chloroaryl)heterocyclic compounds | RHONE POULENC AGROCHIMIE (FR) | 2000-02-09 | — | — | EP | disclosed |
| US-5726324-A | 1-(nitroaryl)pyrrole intermediates to pesticidal 1-(haloaryl)pyrroles | RHONE-POULENC INC. (US) | 1998-03-10 | — | — | US | disclosed |
| US-5631381-A | Process for the preparation of pesticidal 1-(haloaryl) heterocyclic compounds | RHONE-POULENC INC. (US) | 1997-05-20 | — | — | US | disclosed |
| EP-0738713-A1 | Process for the preparation of pesticidal 1-(haloaryl)heterocyclic compounds | RHONE-POULENC AGROCHIMIE (FR) | 1996-10-23 | — | — | EP | disclosed |