⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL677150 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28899042 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL9388926 | 0.78 | — | — | |
| SCHEMBL25309522 | 0.77 | — | — | |
| SCHEMBL6545450 | 0.74 | — | — | |
| SCHEMBL29244226 | 0.74 | — | — | |
| SCHEMBL17625041 | 0.74 | — | — | |
| SCHEMBL5598114 | 0.74 | HSD17B10 (0.32) | — | |
| SCHEMBL19991268 | 0.74 | ALDH1A1 (0.44) | — | |
| Nonane SCHEMBL28396713 | 0.72 | TSHR (0.46) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257534-B1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2013-11-06 | — | — | EP | disclosed |
| US-8343958-B2 | 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5-receptor antagonists | MIMETICA PTY LTD (AU) | 2013-01-01 | — | — | US | disclosed |
| US-20110263572-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2011-10-27 | — | — | US | disclosed |
| US-8008291-B2 | 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5 receptor antagonists | MIMETICA PTY LTD (AU) | 2011-08-30 | — | — | US | disclosed |
| EP-2257534-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | Mimetica Pty Limited (AU) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009105823-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | MIMETICA PTY LTD (AU) | 2009-09-03 | — | — | WO | disclosed |
| US-20090221557-A1 | 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS | Marp Therapeutics Pty Ltd (AU) | 2009-09-03 | — | — | US | disclosed |