⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25602964 | 1.00 | — | — | |
| SCHEMBL7775956 | 0.83 | TSHR (0.52) | — | |
| SCHEMBL20181841 | 0.81 | KISS1R (0.34) | — | |
| SCHEMBL17147136 | 0.79 | — | — | |
| SCHEMBL21113533 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL3646496 | 0.79 | — | — | |
| SCHEMBL28770252 | 0.79 | — | — | |
| SCHEMBL18848310 | 0.79 | MTNR1A (0.50) | — | |
| SCHEMBL12835747 | 0.79 | KISS1R (0.33) | — | |
| SCHEMBL12358305 | 0.79 | TSHR (0.44) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015035278-A1 | RORγ MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-03-12 | — | — | WO | disclosed |
| US-20120178666-A1 | PRODRUGS OF GUANFACINE | SHIRE LLC (US) | 2012-07-12 | — | — | US | disclosed |
| EP-0811662-B1 | Isoindoleninamide dyes | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2001-09-05 | — | — | EP | disclosed |
| US-6201126-B1 | Isoindolenineamide dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 2001-03-13 | — | — | US | disclosed |
| EP-0811662-A2 | Isoindoleninamide dyes | BAYER AG (DE) | 1997-12-10 | — | — | EP | disclosed |