⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19679559 | 1.00 | — | — | |
| SCHEMBL13222239 | 1.00 | — | — | |
| SCHEMBL13222251 | 1.00 | — | — | |
| SCHEMBL15433261 | 1.00 | — | — | |
| SCHEMBL13039924 | 1.00 | — | — | |
| SCHEMBL24228242 | 1.00 | — | — | |
| SCHEMBL4996253 | 1.00 | — | — | |
| SCHEMBL15433904 | 1.00 | — | — | |
| SCHEMBL15433905 | 1.00 | — | — | |
| SCHEMBL14401853 | 1.00 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7939091-B2 | Biorational repellents obtained from terpenoids for use against arthropods | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2011-05-10 | — | — | US | disclosed |
| US-7939091-B2 | Biorational repellents obtained from terpenoids for use against arthropods | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2011-05-10 | — | — | US | disclosed |
| US-7776912-B2 | Acetals of nepetalic acid and method of preparation | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-08-17 | — | — | US | disclosed |
| WO-2009070641-A1 | METHOD FOR CONVERTING TRANS-CIS NEPETALACTONE TO CIS-TRANS NEPETALACTONE USING MOLECULAR SIEVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-06-04 | — | — | WO | disclosed |
| US-7435851-B2 | Puleganic amides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-10-14 | — | — | US | disclosed |
| WO-2008079252-A1 | PRODUCTION OF DIHYDRONEPETALACTONE BY HYDROGENATION OF NEPETALACTONE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-03 | — | — | WO | disclosed |
| WO-2008005414-A2 | ACETALS OF NEPETALIC ACID AND METHOD OF PREPARATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-01-10 | — | — | WO | disclosed |
| US-20070154504-A1 | BIORATIONAL REPELLENTS OBTAINED FROM TERPENOIDS FOR USE AGAINST ARTHROPODS | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. | 2007-07-05 | — | — | US | disclosed |