Nonane

Nonane

SCHEMBL4543993

CC=O.CCCCCCCCC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.61
THRB P10828 1/20 0.61
EPHX1 P07099 1/20 0.55
ADH1B P00325 1/20 0.55
ADH1C P00326 1/20 0.55
ADH1A P07327 1/20 0.55
ADH4 P08319 1/20 0.55
ADH7 P40394 1/20 0.55
FAAH O00519 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 2/20 0.44
DNM1 Q05193 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
Decane SCHEMBL27499722 1.00 TSHR (0.61) TSHRTHRBEPHX1ADH1BADH1C
Decane SCHEMBL28763742 0.96 TSHR (0.58) TSHRTHRBEPHX1ADH1BADH1C
Pentane SCHEMBL4667362 0.88 TSHR (0.58) TSHRTHRBEPHX1ADH1BADH1C
Pentane SCHEMBL5367252 0.88
Acetaldehyde SCHEMBL11420862 0.85 SLC22A1 (0.72) TSHRALDH1A1DNM1HSD17B10
Cetyl Alcohol SCHEMBL27479769 0.85 TSHR (0.72) TSHRTHRBEPHX1ADH1BADH1C
Acetaldehyde SCHEMBL17238759 0.85 SLC22A1 (0.72) TSHRALDH1A1DNM1HSD17B10
Tetrahexylammonium SCHEMBL7548222 0.85 SLC22A1 (0.72) TSHRALDH1A1DNM1HSD17B10
Acetaldehyde SCHEMBL17238774 0.85 SLC22A1 (0.72) TSHRALDH1A1DNM1HSD17B10
Nonane SCHEMBL29223324 0.85 TSHR (0.61) TSHRTHRBEPHX1ADH1BADH1C

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204637-B1 PROCESS FOR THE PREPARATION OF ISOTRETINOIN RANBAXY LAB LTD (IN) 2005-04-20 EP claimed
US-20050027143-A1 Process for the preparation of beta-ionylideneacetaldehyde RANBAXY LABORATORIES LIMITED (IN) 2005-02-03 US claimed
EP-1421054-A2 PROCESS FOR THE PREPARATION OF BETA-IONYLIDENEACETALDEHYDE RANBAXY LABORATORIES, LTD. (IN) 2004-05-26 EP claimed
WO-2003018522-A2 PROCESS FOR THE PREPARATION OF BETA-IONYLIDENEACETALDEHYDE RANBAXY LABORATORIES LIMITED (IN) 2003-03-06 WO claimed
JP-2003506349-A 2003-02-18 JP claimed
US-6441226-B1 ONE STEP RANBAXY LABORATORIES LIMITED (IN) 2002-08-27 US claimed
EP-1204637-A1 PROCESS FOR THE PREPARATION OF ISOTRETINOIN RANBAXY LABORATORIES, LTD. (IN) 2002-05-15 EP claimed
WO-2001009089-A1 PROCESS FOR THE PREPARATION OF ISOTRETINOIN RANBAXY LABORATORIES LIMITED (IN) 2001-02-08 WO claimed
EP-0430808-B1 Dihydropyran derivatives, their processes of preparation and their use RHONE POULENC NUTRITION ANIMAL (FR) 1995-03-29 EP claimed
US-5250710-A Dihydropyran derivatives, processes for preparation and use RHONE-POULENC NUTRITION ANIMALE (FR) 1993-10-05 US claimed
JP-3209376-A None JP disclosed
US-11977060-B1 Methods of detecting predators in algal cultures NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2024-05-07 US disclosed
CN-111499662-B Isotretinoin C15-triphenylphosphine chloride and preparation method and application thereof 上海新华联制药有限公司 2022-12-20 CN disclosed
CN-111499662-A Isotretinoin C15-triphenylphosphine chloride and preparation method and application thereof 上海新华联制药有限公司 2020-08-07 CN disclosed
CN-111454141-A Isotretinoin condensation compound and preparation method and application thereof 上海新华联制药有限公司 2020-07-28 CN disclosed
US-5145972-A PROCESS FOR PREPARING HALO ACETALS FROM ENAMINES RHONE-POULENC NUTRITION ANIMALE (FR) 1992-09-08 US disclosed
JP-H03209376-A DIHYDROPYRAN DERIVATIVE, PROCESS FOR PREPARATION AND USE RHONE POULENC NUTRITION ANIMAL 1991-09-12 JP disclosed
EP-0430807-A1 Process for the preparation of halogeno-acetals from enamines RHONE-POULENC NUTRITION ANIMALE (FR) 1991-06-05 EP disclosed
EP-0430808-A1 Dihydropyran derivatives, their processes of preparation and their use RHONE-POULENC NUTRITION ANIMALE (FR) 1991-06-05 EP disclosed
US-3974181-A Trimethyl-1,4-dioxaspiro[4,5]dec-7-en-8-methanol HOFFMANN-LA ROCHE INC. (US) 1976-08-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050027143-A1 Process for the preparation of beta-ionylideneacetaldehyde ALDH1A2, ADH1B, ADH4 TSHR 260/4885THRB 43/4885EPHX1 843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.