⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3208597 | 0.75 | — | — | |
| SCHEMBL3986484 | 0.71 | USP2 (0.37) | — | |
| SCHEMBL3986480 | 0.71 | USP2 (0.37) | — | |
| SCHEMBL3863045 | 0.71 | TAS2R46 (0.30) | — | |
| SCHEMBL35314 | 0.69 | — | — | |
| SCHEMBL4819563 | 0.69 | TLR4 (0.31) | — | |
| SCHEMBL19992463 | 0.68 | NOS3 (0.30) | — | |
| SCHEMBL16766037 | 0.67 | SRD5A1 (0.41) | — | |
| SCHEMBL16771923 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL15418511 | 0.62 | USP2 (0.36) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | claimed |
| CN-108191599-B | Four-membered ring fuel molecule and photochemical preparation method thereof | 天津大学 | 2020-08-04 | — | — | CN | claimed |
| US-10689309-B1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-23 | — | — | US | claimed |
| US-20200181040-A1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-11 | — | — | US | claimed |
| WO-2020010494-A1 | FUSED CYCLOALKANE FUEL AND PHOTOCATALYTIC PREPARATION METHOD THEREOF | 天津大学 | 2020-01-16 | — | — | WO | claimed |
| CN-117342920-A | Chain-substituted tricyclic condensed ring alkane compound and preparation method and application thereof | 西北工业大学 | 2024-01-05 | — | — | CN | disclosed |
| US-10689309-B1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-23 | — | — | US | disclosed |
| US-20200181040-A1 | Fused-ring alkane fuel and photocatalytic preparation process thereof | TIANJIN UNIVERSITY (CN) | 2020-06-11 | — | — | US | disclosed |
| WO-2020010494-A1 | FUSED CYCLOALKANE FUEL AND PHOTOCATALYTIC PREPARATION METHOD THEREOF | 天津大学 | 2020-01-16 | — | — | WO | disclosed |
| EP-2029510-B1 | PATCHOULI ODORANT | FIRMENICH & CIE (CH) | 2013-07-17 | — | — | EP | disclosed |
| WO-2013010882-A2 | 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |
| US-7592492-B2 | Contains perhydro-4-ethyl-8,8a-dimethyl-1-naphthalenol | FIRMENICH SA (CH) | 2009-09-22 | — | — | US | disclosed |
| US-20090130043-A1 | Contains perhydro-4-ethyl-8,8a-dimethyl-1-naphthalenol | FIRMENICH SA, PPON | 2009-05-21 | — | — | US | disclosed |
| EP-2029510-A1 | PATCHOULI ODORANT | Firmenich SA (CH) | 2009-03-04 | — | — | EP | disclosed |
| US-7378383-B2 | Perfuming ingredients of the woody type | FIRMENICH SA (CH) | 2008-05-27 | — | — | US | disclosed |
| WO-2007135582-A1 | PATCHOULI ODORANT | FIRMENICH SA (CH) | 2007-11-29 | — | — | WO | disclosed |
| EP-1605035-B1 | Perfuming ingredients of the woody type | FIRMENICH & CIE (CH) | 2007-09-19 | — | — | EP | disclosed |
| EP-1605035-A1 | Perfuming ingredients of the woody type | FIRMENICH SA (CH) | 2005-12-14 | — | — | EP | disclosed |
| US-20050272632-A1 | Perfuming ingredients of the woody type | FIRMENICH SA (CH) | 2005-12-08 | — | — | US | disclosed |