⚠ 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 SCHEMBL4990819 | 0.98 | CCR1 (0.46) | — | |
| SCHEMBL8176657 | 0.78 | — | — | |
| SCHEMBL21241332 | 0.77 | CCR1 (0.44) | — | |
| SCHEMBL18365271 | 0.76 | CYP3A4 (0.47) | — | |
| SCHEMBL24688445 | 0.74 | CCR1 (0.41) | — | |
| SCHEMBL13218429 | 0.73 | CCR1 (0.44) | — | |
| SCHEMBL30421349 | 0.73 | — | — | |
| SCHEMBL1771685 | 0.73 | CCR1 (0.71) | — | |
| SCHEMBL9611 | 0.73 | — | — | |
| SCHEMBL6380492 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130172549-A1 | Heteroaryl amide derivatives | H. LUNDBECK A/S (DK) | 2013-07-04 | — | — | US | disclosed |
| US-8431593-B2 | Heteroaryl amide derivatives | H. LUNDBECK A/S (DK) | 2013-04-30 | — | — | US | disclosed |
| US-20100216763-A1 | Heteroaryl Amide Derivatives | H. LUNDBECK A/S (DK) | 2010-08-26 | — | — | US | disclosed |
| US-20050261497-A1 | Catalytic asymmetric hetero diels-alder reaction of a heteroaromatic C-nitroso dienophile: a novel method for synthesis of chiral non-racemic amino alcohols | JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) | 2005-11-24 | — | — | US | disclosed |
| WO-2005068457-A1 | CATALTYTIC ASYMMETRIC HETERO DIELS-ALDER REACTION OF A HETEROAROMATIC C-NITROSO DIENOPHILE: A NOVEL METHOD FOR SYNTHESIS OF CHIRAL NON-RACEMIC AMINO ALCOHOLS | UNIVERSITY OF CHICAGO (US) | 2005-07-28 | — | — | WO | disclosed |
| WO-2005033119-A9 | SUPRAMOLECULAR COMPOUNDS AND THEIR USE AS ANTITUMOUR AND ANTIVIRAL AGENTS | UNIV WARWICK (GB) | 2005-07-21 | — | — | WO | disclosed |
| WO-2005033119-A1 | SUPRAMOLECULAR COMPOUNDS AND THEIR USE AS ANTITUMOUR AND ANTIVIRAL AGENTS | UNIVERSITY OF WARWICK (GB) | 2005-04-14 | — | — | WO | disclosed |