⚠ 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL28384993 | 1.00 | ALDH1A1 (0.60) | — | |
| SCHEMBL8643744 | 1.00 | ALDH1A1 (0.60) | — | |
| Piperidine SCHEMBL28388670 | 1.00 | ALDH1A1 (0.60) | — | |
| Aziridine SCHEMBL7074104 | 0.86 | — | — | |
| Aziridine SCHEMBL9284109 | 0.86 | HIF1A (0.42) | — | |
| Aziridine SCHEMBL6346107 | 0.86 | — | — | |
| Piperidine SCHEMBL6275422 | 0.82 | — | — | |
| Piperazine SCHEMBL8441646 | 0.82 | — | — | |
| Piperazine SCHEMBL11268084 | 0.82 | HIF1A (0.50) | — | |
| Piperidine SCHEMBL702860 | 0.80 | — | — |
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-20150004112-A1 | SILOXANE POLYMERS WITH A CENTRAL POLYSILOXANE POLYMER BLOCK WITH ORGANOFUNCTIONAL RADICALS EACH HAVING AT LEAST TWO BIVALENT GROUPS SELECTED FROM UREA AND/OR CARBAMATE GROUPS AND AT LEAST ONE UV/VIS CHROMOPHORE AS RADICAL | EVONIK INDUSTRIES AG (DE) | 2015-01-01 | — | — | US | disclosed |
| EP-0550007-A2 | Eseroline derivatives having anticholinesterase activity, a process for their preparation and pharmaceutical compositions containing them | AESCULAPIUS FARMACEUTICI S.r.l. (IT) | 1993-07-07 | — | — | EP | disclosed |
| EP-0199400-B1 | Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-09-26 | — | — | EP | disclosed |
| US-4826848-A | Antidepressive substituted N-[(4-piperidinyl)alkyl] bicyclic condensed oxazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-05-02 | — | — | US | disclosed |
| US-4749702-A | PARKINSON*S DISEASE, ENTEROKINESIA | JANSSEN PHARMACEUTICA N. V. (BE) | 1988-06-07 | — | — | US | disclosed |
| US-4689330-A | PARKINSON DISEASE | JANSSEN PHARMACEUTICA N.V. (BE) | 1987-08-25 | — | — | US | disclosed |
| EP-0199400-A2 | Substituted N-[(4-piperidinyl)alkyl] bicyclic condensed ozazol- and thiazolamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-10-29 | — | — | EP | disclosed |